#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khz h MET 1 N 0.00 0.90 -0.93 1.43 -0.00 -2.02 -2.79 114.93 111.53 3khz h MET 1 Ca 0.00 -0.27 0.27 0.00 -0.00 0.00 0.00 59.70 59.70 3khz h MET 1 Cb 0.00 -0.09 -0.15 0.00 -0.00 0.00 0.00 31.60 31.36 3khz h MET 1 CO 0.00 0.91 0.32 -1.49 -0.00 0.00 0.00 176.91 176.65 3khz h TRP 2 N 0.78 0.49 -0.25 -0.10 -0.00 -2.00 -2.14 115.95 112.73 3khz h TRP 2 Ca 0.15 0.05 -0.16 0.00 -0.00 0.00 0.00 58.89 58.93 3khz h TRP 2 Cb 0.48 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.16 29.58 3khz h TRP 2 CO 0.04 -0.24 -0.48 -0.22 -0.00 0.00 0.00 178.44 177.54 3khz h LYS 3 N 0.21 0.67 0.21 0.49 3.64 -1.86 -2.38 116.57 117.56 3khz h LYS 3 Ca 0.62 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3khz h LYS 3 Cb 1.33 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 3khz h LYS 3 CO -0.68 1.00 -0.10 1.49 -2.27 0.00 0.00 179.45 178.89 3khz h GLU 4 N 0.53 -0.28 -0.99 1.90 4.81 -1.53 -2.39 114.58 116.64 3khz h GLU 4 Ca 0.03 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.43 3khz h GLU 4 Cb 1.03 0.06 -0.16 0.00 0.63 0.00 0.00 28.75 30.31 3khz h GLU 4 CO 0.10 0.05 -0.38 1.63 -0.73 0.00 0.00 179.01 179.68 3khz n LYS 5 N -5.06 -0.23 0.02 1.92 5.02 -0.84 0.56 118.16 119.55 3khz n LYS 5 Ca -0.09 1.52 -0.11 0.00 -2.02 0.00 0.00 58.31 57.61 3khz n LYS 5 Cb 0.24 -2.25 -0.05 0.00 -0.02 0.00 0.00 35.03 32.94 3khz n LYS 5 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3khz h VAL 6 N 0.00 0.91 -0.62 -0.18 2.07 -1.38 -2.15 116.25 114.90 3khz h VAL 6 Ca 0.35 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.05 3khz h VAL 6 Cb 0.59 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3khz h VAL 6 CO -0.98 0.00 0.94 -0.61 0.02 0.00 0.00 177.57 176.95 3khz h GLN 7 N -0.02 0.00 0.00 1.57 -0.00 0.66 2.30 115.11 119.62 3khz h GLN 7 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 3khz h GLN 7 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.55 3khz h GLN 7 CO -0.07 0.00 0.00 1.04 0.00 0.00 0.00 178.83 179.80 3khz n GLN 8 N -3.17 0.39 -0.05 1.69 6.02 -0.81 -3.16 117.38 118.30 3khz n GLN 8 Ca 0.13 0.01 0.03 0.00 -0.01 0.00 0.00 57.00 57.17 3khz n GLN 8 Cb 1.15 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.97 3khz n GLN 8 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3khz n TYR 9 N -1.29 0.07 -0.01 1.08 4.01 0.77 -4.81 117.16 116.98 3khz n TYR 9 Ca 0.13 -0.65 -0.09 0.00 -0.16 0.00 0.00 57.90 57.14 3khz n TYR 9 Cb 0.24 -0.08 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 3khz n TYR 9 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3khz h GLU 10 N 0.24 -0.21 -0.40 -0.72 5.08 -1.48 -0.95 114.58 116.15 3khz h GLU 10 Ca 0.00 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 3khz h GLU 10 Cb 0.69 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 3khz h GLU 10 CO 0.01 -0.14 -0.07 -0.44 -1.00 0.00 0.00 179.01 177.37 3khz h ASP 11 N -0.21 0.65 0.17 1.42 5.19 -1.87 -1.95 116.42 119.82 3khz h ASP 11 Ca 0.11 -0.17 -0.15 0.00 -0.62 0.00 0.00 57.03 56.20 3khz h ASP 11 Cb 0.37 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 3khz h ASP 11 CO -0.28 0.77 -0.56 1.56 -3.12 0.00 0.00 179.24 177.60 3khz h GLN 12 N 0.62 0.41 0.04 3.56 4.20 -1.79 -0.66 115.11 121.49 3khz h GLN 12 Ca 0.12 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 3khz h GLN 12 Cb 0.49 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3khz h GLN 12 CO 0.03 0.86 -0.02 0.82 -0.67 0.00 0.00 178.83 179.85 3khz h ILE 13 N 0.31 1.08 -0.42 2.54 2.04 -0.94 -0.63 117.51 121.49 3khz h ILE 13 Ca 0.00 -0.38 0.07 0.00 1.00 0.00 0.00 64.86 65.55 3khz h ILE 13 Cb 1.08 1.33 -0.06 0.00 -0.74 0.00 0.00 36.82 38.43 3khz h ILE 13 CO 0.10 0.10 0.07 0.40 0.00 0.00 0.00 178.15 178.82 3khz h ILE 14 N -0.22 0.77 -0.25 -0.67 1.08 -1.26 0.88 117.51 117.84 3khz h ILE 14 Ca -0.01 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 3khz h ILE 14 Cb 0.20 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 3khz h ILE 14 CO 0.01 0.04 0.10 0.78 -0.69 0.00 0.00 178.15 178.39 3khz h ASN 15 N 0.20 0.33 -0.77 1.72 2.35 -0.95 0.15 115.58 118.61 3khz h ASN 15 Ca 0.20 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 3khz h ASN 15 Cb 0.25 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 3khz h ASN 15 CO -0.27 0.40 0.44 0.44 -1.65 0.00 0.00 177.43 176.78 3khz h ASP 16 N 0.25 0.95 -0.05 5.81 3.32 -0.82 -1.50 116.42 124.39 3khz h ASP 16 Ca 0.08 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3khz h ASP 16 Cb 0.16 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 3khz h ASP 16 CO -0.01 0.76 0.02 0.25 -1.72 0.00 0.00 179.24 178.54 3khz h LEU 17 N 1.06 0.06 -0.64 1.55 5.85 -0.36 -2.08 115.31 120.77 3khz h LEU 17 Ca 0.27 -0.19 0.12 0.00 0.84 0.00 0.00 57.88 58.92 3khz h LEU 17 Cb 0.01 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 40.94 3khz h LEU 17 CO -0.05 0.24 0.17 0.50 -0.34 0.00 0.00 178.44 178.96 3khz h LYS 18 N -0.11 0.29 -0.56 1.25 3.64 -0.53 0.15 116.57 120.70 3khz h LYS 18 Ca 0.01 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3khz h LYS 18 Cb 0.19 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 3khz h LYS 18 CO -0.00 0.20 0.30 0.78 -2.27 0.00 0.00 179.45 178.46 3khz h GLY 19 N 0.30 0.80 1.19 5.01 0.00 -0.81 0.06 103.07 109.62 3khz h GLY 19 Ca 0.34 -0.21 -0.21 0.00 0.00 0.00 0.00 47.33 47.25 3khz h GLY 19 CO -0.40 0.14 -0.67 -2.00 0.00 0.00 0.00 176.54 173.60 3khz h LEU 20 N 0.58 0.95 -1.59 3.11 5.85 -0.58 -3.08 115.31 120.55 3khz h LEU 20 Ca 0.25 -0.57 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 3khz h LEU 20 Cb 0.13 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3khz h LEU 20 CO -0.16 1.37 0.01 -0.07 -0.34 0.00 0.00 178.44 179.26 3khz h LEU 21 N 0.60 0.25 -0.43 2.25 3.38 -0.37 -2.55 115.31 118.44 3khz h LEU 21 Ca -0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3khz h LEU 21 Cb 1.29 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3khz h LEU 21 CO 0.14 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.96 3khz n ALA 22 N -2.50 1.58 -2.65 1.53 0.00 -0.03 -4.59 120.51 113.85 3khz n ALA 22 Ca -0.00 0.03 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 3khz n ALA 22 Cb 0.17 -1.30 -0.05 0.00 0.00 0.00 0.00 19.45 18.27 3khz n ALA 22 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3khz s ILE 23 N -3.19 4.94 -1.28 0.00 1.01 -0.96 -4.84 121.20 116.88 3khz s ILE 23 Ca 0.05 1.37 -0.15 0.00 0.00 0.00 0.00 60.65 61.91 3khz s ILE 23 Cb 0.09 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 3khz s ILE 23 CO 0.30 0.03 2.21 1.21 0.00 0.00 0.00 174.94 178.70 3khz n GLU 24 N 5.43 2.56 -1.35 2.79 2.13 -1.26 -4.77 120.64 126.17 3khz n GLU 24 Ca 0.02 -2.34 -0.30 0.00 0.66 0.00 0.00 57.16 55.19 3khz n GLU 24 Cb 0.49 -3.13 -0.07 0.00 0.27 0.00 0.00 31.44 29.00 3khz n GLU 24 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3khz n SER 25 N 6.17 7.44 -4.85 4.31 3.41 -1.26 -4.40 113.62 124.44 3khz n SER 25 Ca 0.53 -2.69 -0.36 0.00 -0.26 0.00 0.00 58.87 56.08 3khz n SER 25 Cb 0.37 -1.46 -0.06 0.00 -0.26 0.00 0.00 64.21 62.81 3khz n SER 25 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3khz s VAL 26 N 0.90 5.00 0.37 -3.33 1.01 -1.26 -1.52 120.40 121.56 3khz s VAL 26 Ca 0.66 0.74 -0.26 0.00 0.00 0.00 0.00 61.98 63.11 3khz s VAL 26 Cb 0.24 -3.71 -0.12 0.00 0.00 0.00 0.00 36.38 32.80 3khz s VAL 26 CO -0.06 0.43 1.14 -1.14 0.00 0.00 0.00 175.10 175.46 3khz n ARG 27 N 1.34 1.69 -3.18 2.72 0.63 -1.26 -4.53 116.66 114.07 3khz n ARG 27 Ca -0.10 0.60 -0.19 0.00 -0.92 0.00 0.00 57.85 57.24 3khz n ARG 27 Cb 0.52 -2.15 -0.06 0.00 0.45 0.00 0.00 32.46 31.22 3khz n ARG 27 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3khz s ASP 28 N -0.54 0.43 0.57 6.15 -1.08 0.15 -5.01 116.67 117.35 3khz s ASP 28 Ca 0.59 -2.51 0.31 0.00 -0.52 0.00 0.00 52.55 50.42 3khz s ASP 28 Cb -0.58 0.42 1.70 0.00 -1.46 0.00 0.00 42.92 43.00 3khz s ASP 28 CO 0.59 -0.14 2.17 0.44 0.52 0.00 0.00 175.17 178.76 3khz h ASP 29 N 5.53 0.00 0.96 -0.34 3.32 -1.92 -1.80 116.42 122.17 3khz h ASP 29 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3khz h ASP 29 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3khz h ASP 29 CO 0.24 0.06 -0.29 0.00 -1.72 0.00 0.00 179.24 177.52 3khz n ALA 30 N -2.26 2.77 -0.08 3.45 0.00 -1.26 -3.30 120.51 119.82 3khz n ALA 30 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3khz n ALA 30 Cb 0.16 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3khz n ALA 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3khz n LYS 31 N -1.85 1.68 -0.95 0.00 4.81 -0.72 -5.05 118.16 116.09 3khz n LYS 31 Ca 0.05 -1.14 -0.33 0.00 -0.87 0.00 0.00 58.31 56.03 3khz n LYS 31 Cb 0.39 -0.96 0.14 0.00 0.02 0.00 0.00 35.03 34.61 3khz n LYS 31 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3khz n ALA 32 N -0.32 -0.66 -3.66 3.14 0.00 -0.97 -4.66 120.51 113.38 3khz n ALA 32 Ca 0.00 -0.43 -0.08 0.00 0.00 0.00 0.00 53.44 52.93 3khz n ALA 32 Cb 0.20 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.47 3khz n ALA 32 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3khz n SER 33 N -3.16 -0.89 0.24 0.00 3.41 -0.42 -4.94 113.62 107.86 3khz n SER 33 Ca 0.12 -2.21 0.08 0.00 -0.26 0.00 0.00 58.87 56.60 3khz n SER 33 Cb 0.51 1.66 0.58 0.00 -0.26 0.00 0.00 64.21 66.70 3khz n SER 33 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3khz h GLU 34 N 0.00 0.00 0.00 4.33 4.81 -1.96 -1.51 114.58 120.25 3khz h GLU 34 Ca -0.18 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.94 3khz h GLU 34 Cb 0.76 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 3khz h GLU 34 CO 0.24 0.15 -0.53 -0.44 -0.73 0.00 0.00 179.01 177.70 3khz h ASP 35 N 0.00 0.00 -2.08 1.04 3.32 -1.94 -3.40 116.42 113.36 3khz h ASP 35 Ca -0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 3khz h ASP 35 Cb 0.30 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 39.50 3khz h ASP 35 CO 0.02 0.53 -0.91 0.00 -1.72 0.00 0.00 179.24 177.16 3khz n ALA 36 N -2.26 2.04 0.31 3.45 0.00 -0.75 -4.86 120.51 118.43 3khz n ALA 36 Ca 0.01 -2.80 0.19 0.00 0.00 0.00 0.00 53.44 50.84 3khz n ALA 36 Cb 0.70 -0.88 0.92 0.00 0.00 0.00 0.00 19.45 20.19 3khz n ALA 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3khz h PRO 37 N 5.33 0.00 0.00 0.00 0.11 -1.50 0.23 132.00 136.17 3khz h PRO 37 Ca 0.21 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.32 3khz h PRO 37 Cb 0.94 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 3khz h PRO 37 CO 0.33 0.00 -0.07 1.33 -0.21 0.00 0.00 178.00 179.38 3khz n VAL 38 N -2.94 1.75 0.00 3.15 0.24 -1.26 -4.67 118.33 114.60 3khz n VAL 38 Ca -0.01 -2.14 0.00 0.00 -2.04 0.00 0.00 64.34 60.15 3khz n VAL 38 Cb 0.16 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 3khz n VAL 38 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3khz n GLY 39 N -1.30 2.41 0.33 7.63 0.00 0.68 -0.67 105.19 114.26 3khz n GLY 39 Ca 0.15 -1.88 0.08 0.00 0.00 0.00 0.00 46.02 44.37 3khz n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3khz h PRO 40 N 0.00 0.73 0.11 1.61 0.13 -1.83 -3.17 132.00 129.58 3khz h PRO 40 Ca 0.00 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3khz h PRO 40 Cb 0.00 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 30.96 3khz h PRO 40 CO 0.00 0.48 -0.11 0.78 -0.23 0.00 0.00 178.00 178.92 3khz h GLY 41 N 0.75 -0.83 0.38 1.56 0.00 -1.83 -1.40 103.07 101.71 3khz h GLY 41 Ca 0.49 0.37 0.14 0.00 0.00 0.00 0.00 47.33 48.33 3khz h GLY 41 CO -0.33 -0.29 0.62 -2.55 0.00 0.00 0.00 176.54 173.98 3khz h PRO 42 N -0.22 0.86 -0.74 4.80 0.11 -1.72 0.30 132.00 135.39 3khz h PRO 42 Ca -0.01 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 66.11 3khz h PRO 42 Cb 0.19 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 31.04 3khz h PRO 42 CO -0.02 0.57 0.42 -0.09 -0.21 0.00 0.00 178.00 178.68 3khz h ARG 43 N 0.88 0.74 -0.48 1.05 9.65 -1.51 0.54 114.38 125.26 3khz h ARG 43 Ca 0.51 -0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 59.25 3khz h ARG 43 Cb 0.64 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 3khz h ARG 43 CO -0.29 0.49 -0.09 0.87 2.80 0.00 0.00 179.97 183.75 3khz h LYS 44 N 0.76 0.86 -0.52 0.20 1.57 0.70 -0.68 116.57 119.46 3khz h LYS 44 Ca 0.34 -0.29 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 3khz h LYS 44 Cb 0.22 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3khz h LYS 44 CO -0.20 0.92 0.01 0.00 -0.57 0.00 0.00 179.45 179.62 3khz h ALA 45 N 1.11 0.70 0.03 3.86 0.00 -0.57 0.18 119.26 124.57 3khz h ALA 45 Ca 0.13 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3khz h ALA 45 Cb 0.60 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3khz h ALA 45 CO 0.04 0.50 -0.01 1.25 0.00 0.00 0.00 179.25 181.03 3khz h LEU 46 N 0.78 -0.03 -1.73 0.00 5.85 -0.74 -2.67 115.31 116.77 3khz h LEU 46 Ca 0.15 -0.16 0.15 0.00 0.84 0.00 0.00 57.88 58.86 3khz h LEU 46 Cb 0.51 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 3khz h LEU 46 CO 0.02 0.14 0.46 0.44 -0.34 0.00 0.00 178.44 179.17 3khz h ASP 47 N -0.21 0.25 -0.49 1.25 3.32 -0.85 -1.85 116.42 117.84 3khz h ASP 47 Ca -0.00 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 3khz h ASP 47 Cb 0.19 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3khz h ASP 47 CO 0.01 0.13 0.14 0.22 -1.72 0.00 0.00 179.24 178.02 3khz h TYR 48 N 0.26 0.80 -0.60 4.55 3.20 -0.31 -1.94 116.97 122.93 3khz h TYR 48 Ca 0.33 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 62.11 3khz h TYR 48 Cb 0.92 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 3khz h TYR 48 CO -0.00 0.71 0.36 0.52 -1.64 0.00 0.00 178.16 178.11 3khz h MET 49 N 0.67 0.82 -0.43 1.82 2.86 -1.07 -2.14 114.93 117.46 3khz h MET 49 Ca 0.16 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 3khz h MET 49 Cb 0.29 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 3khz h MET 49 CO -0.00 0.60 0.20 1.88 1.06 0.00 0.00 176.91 180.64 3khz h TYR 50 N 0.82 0.58 -0.11 -0.22 0.05 -1.15 -2.18 116.97 114.77 3khz h TYR 50 Ca 0.22 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.97 3khz h TYR 50 Cb -0.01 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 37.54 3khz h TYR 50 CO -0.02 0.44 0.03 0.93 -1.05 0.00 0.00 178.16 178.48 3khz h GLU 51 N 0.59 0.17 -0.36 4.88 5.08 -0.70 0.02 114.58 124.26 3khz h GLU 51 Ca 0.15 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 3khz h GLU 51 Cb 0.08 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3khz h GLU 51 CO -0.02 0.35 -0.30 -0.84 -1.00 0.00 0.00 179.01 177.20 3khz h ILE 52 N -0.03 1.28 -0.14 3.13 3.07 -1.39 0.50 117.51 123.93 3khz h ILE 52 Ca 0.03 -1.45 0.05 0.00 1.55 0.00 0.00 64.86 65.04 3khz h ILE 52 Cb 0.25 1.32 -0.07 0.00 -0.27 0.00 0.00 36.82 38.06 3khz h ILE 52 CO 0.00 0.48 -0.38 0.00 -1.05 0.00 0.00 178.15 177.19 3khz h ALA 53 N 1.00 -0.50 -0.15 0.16 0.00 -1.31 0.07 119.26 118.53 3khz h ALA 53 Ca 0.08 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3khz h ALA 53 Cb 0.83 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 3khz h ALA 53 CO 0.07 -0.88 0.04 0.45 0.00 0.00 0.00 179.25 178.93 3khz h HIS 54 N -0.45 0.07 -0.86 0.00 3.86 -0.50 0.19 115.15 117.44 3khz h HIS 54 Ca 0.09 0.01 0.22 0.00 -1.16 0.00 0.00 60.37 59.52 3khz h HIS 54 Cb 0.60 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.01 3khz h HIS 54 CO -0.46 0.03 0.59 -0.09 0.86 0.00 0.00 177.93 178.86 3khz h ARG 55 N 0.10 0.24 -0.73 2.45 2.43 0.47 0.48 114.38 119.82 3khz h ARG 55 Ca 0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3khz h ARG 55 Cb 0.05 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3khz h ARG 55 CO -0.08 0.16 0.00 -0.25 -1.51 0.00 0.00 179.97 178.29 3khz n ASP 56 N -4.42 3.96 0.00 -3.80 8.00 -0.03 -4.96 116.55 115.29 3khz n ASP 56 Ca 0.18 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.68 3khz n ASP 56 Cb 0.77 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 3khz n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3khz n GLY 57 N 1.68 0.60 3.83 0.44 0.00 0.17 -5.03 105.19 106.88 3khz n GLY 57 Ca 0.25 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 3khz n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3khz s PHE 58 N -2.00 3.69 0.49 1.61 0.08 0.43 -4.96 117.98 117.32 3khz s PHE 58 Ca 0.00 0.91 -0.22 0.00 0.12 0.00 0.00 56.93 57.73 3khz s PHE 58 Cb 0.00 -2.26 -0.07 0.00 -0.57 0.00 0.00 43.02 40.12 3khz s PHE 58 CO 0.00 0.60 1.21 0.99 -0.10 0.00 0.00 175.22 177.93 3khz s THR 59 N -0.88 2.84 0.30 0.64 2.01 -1.26 -3.84 115.64 115.45 3khz s THR 59 Ca 0.22 0.62 0.03 0.00 0.31 0.00 0.00 61.69 62.87 3khz s THR 59 Cb -0.16 -3.31 -0.06 0.00 0.01 0.00 0.00 72.50 68.98 3khz s THR 59 CO 0.11 -0.02 0.07 0.42 -0.69 0.00 0.00 174.62 174.52 3khz s THR 60 N -1.50 0.93 -0.17 -0.82 -4.23 -1.26 -1.28 115.64 107.32 3khz s THR 60 Ca 0.66 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.10 3khz s THR 60 Cb -0.31 -2.73 0.07 0.00 1.34 0.00 0.00 72.50 70.87 3khz s THR 60 CO 0.38 -0.00 0.37 -2.28 -0.54 0.00 0.00 174.62 172.55 3khz s HIS 61 N -3.49 -0.62 -0.03 3.99 5.04 0.02 -4.96 115.29 115.25 3khz s HIS 61 Ca 0.37 1.27 -0.05 0.00 -1.54 0.00 0.00 55.06 55.11 3khz s HIS 61 Cb 0.08 0.21 -0.04 0.00 0.04 0.00 0.00 32.58 32.87 3khz s HIS 61 CO 0.15 -0.38 0.21 0.34 -2.34 0.00 0.00 174.74 172.71 3khz s ASP 62 N 1.98 6.43 -0.31 9.88 2.15 -1.26 -0.89 116.67 134.65 3khz s ASP 62 Ca -0.05 0.46 0.03 0.00 0.43 0.00 0.00 52.55 53.43 3khz s ASP 62 Cb -0.10 -2.05 0.08 0.00 -0.30 0.00 0.00 42.92 40.55 3khz s ASP 62 CO -0.12 0.29 -0.00 -0.69 -0.17 0.00 0.00 175.17 174.48 3khz s VAL 63 N -1.25 2.12 -1.05 1.11 1.01 0.85 -4.79 120.40 118.41 3khz s VAL 63 Ca 0.25 -2.00 -0.07 0.00 0.00 0.00 0.00 61.98 60.15 3khz s VAL 63 Cb -0.13 -2.45 0.06 0.00 0.00 0.00 0.00 36.38 33.86 3khz s VAL 63 CO 0.14 -0.39 0.31 0.47 0.00 0.00 0.00 175.10 175.64 3khz n ASP 64 N 4.37 -3.01 -3.45 3.32 8.00 -1.26 -1.53 116.55 122.98 3khz n ASP 64 Ca -0.03 -0.20 -0.23 0.00 0.71 0.00 0.00 54.79 55.04 3khz n ASP 64 Cb 0.42 -2.55 -0.02 0.00 -0.02 0.00 0.00 41.12 38.95 3khz n ASP 64 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3khz n HIS 65 N -3.56 -1.67 -0.01 1.24 8.25 -1.26 -4.76 115.22 113.45 3khz n HIS 65 Ca -0.02 0.41 -0.01 0.00 -0.26 0.00 0.00 57.72 57.85 3khz n HIS 65 Cb 0.54 -2.27 -0.01 0.00 1.12 0.00 0.00 29.99 29.37 3khz n HIS 65 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 3khz n ILE 66 N -3.65 0.10 -3.76 1.59 3.06 -0.58 -4.34 119.36 111.77 3khz n ILE 66 Ca 0.02 -0.07 -0.09 0.00 -2.50 0.00 0.00 62.75 60.11 3khz n ILE 66 Cb 0.51 -0.69 -0.04 0.00 0.54 0.00 0.00 39.64 39.96 3khz n ILE 66 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3khz s ALA 67 N -2.06 -0.92 0.03 1.51 0.00 -1.17 -2.65 121.76 116.50 3khz s ALA 67 Ca -0.01 -0.27 -0.09 0.00 0.00 0.00 0.00 51.96 51.59 3khz s ALA 67 Cb 0.01 0.87 0.03 0.00 0.00 0.00 0.00 23.12 24.03 3khz s ALA 67 CO 0.07 -0.83 0.42 0.41 0.00 0.00 0.00 175.76 175.84 3khz n GLY 68 N -0.35 0.75 3.03 0.00 0.00 -0.20 -0.10 105.19 108.31 3khz n GLY 68 Ca -0.09 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 3khz n GLY 68 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3khz s ARG 69 N -2.01 0.35 -0.19 1.61 1.70 -0.07 -0.17 118.95 120.17 3khz s ARG 69 Ca 0.10 -0.45 -0.07 0.00 -0.47 0.00 0.00 55.73 54.84 3khz s ARG 69 Cb -0.01 0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 34.48 3khz s ARG 69 CO 0.01 -0.07 0.05 0.42 -1.08 0.00 0.00 175.30 174.62 3khz s ILE 70 N -1.27 4.52 -0.12 4.99 1.01 -0.49 -0.80 121.20 129.05 3khz s ILE 70 Ca -0.14 -0.12 -0.05 0.00 0.00 0.00 0.00 60.65 60.34 3khz s ILE 70 Cb -0.08 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 3khz s ILE 70 CO 0.00 0.44 0.07 -1.61 0.00 0.00 0.00 174.94 173.84 3khz s GLU 71 N 0.66 3.37 0.23 2.79 2.02 -0.40 -1.47 118.70 125.89 3khz s GLU 71 Ca 0.02 -0.28 -0.07 0.00 0.02 0.00 0.00 54.97 54.67 3khz s GLU 71 Cb -0.13 -3.04 -0.02 0.00 0.10 0.00 0.00 34.13 31.03 3khz s GLU 71 CO 0.02 0.65 0.31 0.00 0.02 0.00 0.00 175.26 176.26 3khz s ALA 72 N -0.70 0.46 0.00 5.21 0.00 -0.42 -4.12 121.76 122.19 3khz s ALA 72 Ca 0.12 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.79 3khz s ALA 72 Cb -0.12 1.23 0.00 0.00 0.00 0.00 0.00 23.12 24.23 3khz s ALA 72 CO 0.03 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.47 3khz n GLY 73 N -0.33 -2.15 3.46 0.00 0.00 -1.26 -0.05 105.19 104.85 3khz n GLY 73 Ca 0.00 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 3khz n GLY 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3khz s LYS 74 N -0.19 0.57 0.00 1.61 2.20 -0.47 -4.70 119.74 118.75 3khz s LYS 74 Ca 0.00 0.99 0.00 0.00 -0.36 0.00 0.00 55.97 56.60 3khz s LYS 74 Cb 0.00 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 3khz s LYS 74 CO 0.00 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 3khz n GLY 75 N 4.12 2.17 0.21 5.54 0.00 -1.26 -0.15 105.19 115.82 3khz n GLY 75 Ca -0.21 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 43.67 3khz n GLY 75 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3khz h ASN 76 N 0.00 0.72 -4.00 1.61 -0.26 -1.97 -3.38 115.58 108.30 3khz h ASN 76 Ca 0.00 -0.41 -0.46 0.00 -0.56 0.00 0.00 56.30 54.87 3khz h ASN 76 Cb 0.00 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.06 3khz h ASN 76 CO 0.00 0.97 0.37 -1.81 -1.06 0.00 0.00 177.43 175.90 3khz s ASP 77 N -6.40 6.81 -0.20 5.81 1.11 -1.26 -4.89 116.67 117.65 3khz s ASP 77 Ca -0.13 1.88 0.01 0.00 0.18 0.00 0.00 52.55 54.49 3khz s ASP 77 Cb 0.09 -2.57 0.05 0.00 1.07 0.00 0.00 42.92 41.56 3khz s ASP 77 CO 0.81 -0.45 -0.08 0.54 1.18 0.00 0.00 175.17 177.17 3khz s VAL 78 N -1.88 1.51 -0.13 -1.27 0.11 -1.26 -0.09 120.40 117.39 3khz s VAL 78 Ca 0.60 -1.01 -0.28 0.00 -2.93 0.00 0.00 61.98 58.36 3khz s VAL 78 Cb -0.16 -1.67 -0.01 0.00 -1.53 0.00 0.00 36.38 33.01 3khz s VAL 78 CO 0.21 0.08 0.96 -0.22 -3.33 0.00 0.00 175.10 172.79 3khz s LEU 79 N 1.44 4.22 -0.12 2.54 2.96 0.50 -0.44 118.68 129.78 3khz s LEU 79 Ca -0.02 1.42 -0.03 0.00 -0.22 0.00 0.00 54.13 55.27 3khz s LEU 79 Cb -0.17 -3.46 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 3khz s LEU 79 CO -0.07 -0.44 0.01 -0.83 -1.32 0.00 0.00 176.35 173.70 3khz s GLY 80 N 1.11 1.85 -0.23 7.98 0.00 -0.24 -0.35 107.32 117.43 3khz s GLY 80 Ca 0.45 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 44.40 3khz s GLY 80 CO 0.16 -0.34 -0.11 -0.42 0.00 0.00 0.00 173.10 172.39 3khz s ILE 81 N -0.39 1.94 -0.22 0.90 1.01 -0.57 -1.26 121.20 122.60 3khz s ILE 81 Ca 0.08 -1.35 -0.12 0.00 0.00 0.00 0.00 60.65 59.26 3khz s ILE 81 Cb -0.12 -2.03 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 3khz s ILE 81 CO 0.02 0.07 0.23 -0.76 0.00 0.00 0.00 174.94 174.50 3khz s LEU 82 N 1.23 4.15 0.00 2.97 1.43 -0.70 -0.96 118.68 126.81 3khz s LEU 82 Ca -0.05 0.27 0.06 0.00 -1.03 0.00 0.00 54.13 53.37 3khz s LEU 82 Cb -0.18 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 3khz s LEU 82 CO -0.07 0.05 0.27 0.00 0.23 0.00 0.00 176.35 176.83 3khz s HIS 84 N -3.16 0.27 -0.38 0.00 -3.43 -1.26 -0.90 115.29 106.42 3khz s HIS 84 Ca 0.33 -0.58 0.05 0.00 -0.80 0.00 0.00 55.06 54.05 3khz s HIS 84 Cb 0.01 -0.20 -0.01 0.00 -1.43 0.00 0.00 32.58 30.95 3khz s HIS 84 CO 0.23 -0.28 0.38 1.33 -2.00 0.00 0.00 174.74 174.41 3khz n VAL 85 N 1.12 0.00 -1.67 -5.38 0.24 -0.67 -4.15 118.33 107.81 3khz n VAL 85 Ca -0.21 -0.44 -0.31 0.00 -2.04 0.00 0.00 64.34 61.34 3khz n VAL 85 Cb 0.57 1.04 0.04 0.00 -1.47 0.00 0.00 33.84 34.02 3khz n VAL 85 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3khz s ASP 86 N -1.00 5.53 0.03 -1.34 -4.77 -1.26 -4.77 116.67 109.10 3khz s ASP 86 Ca 0.03 1.62 -0.02 0.00 -3.30 0.00 0.00 52.55 50.89 3khz s ASP 86 Cb 0.04 -2.50 -0.02 0.00 -1.09 0.00 0.00 42.92 39.35 3khz s ASP 86 CO 0.13 -1.34 0.01 0.54 0.70 0.00 0.00 175.17 175.21 3khz s VAL 87 N -2.97 0.15 0.56 2.11 0.11 -0.58 -4.60 120.40 115.17 3khz s VAL 87 Ca 0.58 -1.23 -0.08 0.00 -2.93 0.00 0.00 61.98 58.32 3khz s VAL 87 Cb -0.14 -0.83 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 3khz s VAL 87 CO 0.52 -0.68 0.91 0.68 -3.33 0.00 0.00 175.10 173.21 3khz s VAL 88 N -2.53 4.77 0.71 2.04 -7.23 -1.26 -4.05 120.40 112.85 3khz s VAL 88 Ca -0.06 0.54 -0.16 0.00 -1.81 0.00 0.00 61.98 60.50 3khz s VAL 88 Cb -0.02 -3.86 0.03 0.00 0.56 0.00 0.00 36.38 33.09 3khz s VAL 88 CO -0.05 -0.99 1.22 -2.84 -0.31 0.00 0.00 175.10 172.13 3khz s PRO 89 N -4.98 2.24 -0.03 4.82 0.02 -1.26 -4.95 135.00 130.86 3khz s PRO 89 Ca 0.51 1.80 -0.04 0.00 0.02 0.00 0.00 61.00 63.30 3khz s PRO 89 Cb -0.11 -1.84 -0.02 0.00 0.02 0.00 0.00 34.50 32.55 3khz s PRO 89 CO 0.50 -1.77 0.28 0.00 -0.33 0.00 0.00 177.00 175.67 3khz h ALA 90 N -0.12 -0.26 -0.45 -1.55 0.00 -1.96 -3.48 119.26 111.44 3khz h ALA 90 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3khz h ALA 90 Cb 1.30 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3khz h ALA 90 CO 0.50 -0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.92 3khz n GLY 91 N 1.19 3.15 3.60 0.00 0.00 -1.26 -4.92 105.19 106.95 3khz n GLY 91 Ca -0.02 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 3khz n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3khz s ASP 92 N -4.00 5.83 -1.08 1.61 1.11 -1.26 -4.28 116.67 114.59 3khz s ASP 92 Ca 0.00 1.56 -0.17 0.00 0.18 0.00 0.00 52.55 54.13 3khz s ASP 92 Cb 0.00 -2.52 -0.02 0.00 1.07 0.00 0.00 42.92 41.45 3khz s ASP 92 CO 0.00 -1.72 0.80 0.61 1.18 0.00 0.00 175.17 176.04 3khz n GLY 93 N 5.43 -1.05 3.74 0.21 0.00 -1.26 -4.84 105.19 107.40 3khz n GLY 93 Ca 0.24 0.49 -0.40 0.00 0.00 0.00 0.00 46.02 46.35 3khz n GLY 93 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3khz s TRP 94 N -3.40 3.75 -1.01 1.61 0.52 -1.26 -4.78 118.94 114.37 3khz s TRP 94 Ca 0.42 1.56 0.04 0.00 0.02 0.00 0.00 56.10 58.14 3khz s TRP 94 Cb -0.14 -2.89 0.22 0.00 -1.15 0.00 0.00 33.47 29.51 3khz s TRP 94 CO 0.84 0.23 0.91 -0.25 0.02 0.00 0.00 176.95 178.70 3khz n ASP 95 N 2.89 2.12 -3.61 2.95 8.00 -1.26 -4.84 116.55 122.81 3khz n ASP 95 Ca -0.01 -2.22 -0.06 0.00 0.71 0.00 0.00 54.79 53.21 3khz n ASP 95 Cb 0.50 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 3khz n ASP 95 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3khz s SER 96 N -0.36 -0.29 -0.44 -2.24 0.15 -1.26 -5.12 113.70 104.13 3khz s SER 96 Ca 0.15 -0.17 -0.29 0.00 0.70 0.00 0.00 55.95 56.34 3khz s SER 96 Cb 0.11 0.43 0.03 0.00 -1.71 0.00 0.00 66.02 64.88 3khz s SER 96 CO 0.05 -0.74 1.14 0.21 1.20 0.00 0.00 173.24 175.10 3khz s ASN 97 N -2.68 6.69 0.59 5.45 3.04 -1.26 -4.92 114.94 121.85 3khz s ASN 97 Ca 0.08 0.60 0.34 0.00 0.04 0.00 0.00 52.86 53.92 3khz s ASN 97 Cb -0.01 -2.55 1.89 0.00 -1.54 0.00 0.00 41.25 39.04 3khz s ASN 97 CO -0.04 -1.18 2.23 1.55 -3.04 0.00 0.00 177.10 176.61 3khz h PRO 98 N 9.04 0.00 -0.21 0.43 0.13 -1.96 -1.67 132.00 137.76 3khz h PRO 98 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3khz h PRO 98 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3khz h PRO 98 CO 1.11 0.03 0.00 1.19 -0.23 0.00 0.00 178.00 180.10 3khz n PHE 99 N -3.49 0.38 -3.86 1.56 3.72 -1.26 -1.98 117.46 112.53 3khz n PHE 99 Ca -0.02 -0.60 -0.34 0.00 -0.05 0.00 0.00 57.45 56.43 3khz n PHE 99 Cb 0.14 -0.09 -0.13 0.00 -0.94 0.00 0.00 39.48 38.46 3khz n PHE 99 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3khz s GLU 100 N -1.45 1.85 0.31 -1.08 2.02 -0.63 -4.33 118.70 115.40 3khz s GLU 100 Ca 0.21 -1.89 -0.29 0.00 0.02 0.00 0.00 54.97 53.01 3khz s GLU 100 Cb 0.14 -3.46 -0.10 0.00 0.10 0.00 0.00 34.13 30.81 3khz s GLU 100 CO 0.09 -1.03 1.41 -1.25 0.02 0.00 0.00 175.26 174.50 3khz s PRO 101 N 0.97 4.26 -0.22 0.39 0.04 -1.26 -4.56 135.00 134.61 3khz s PRO 101 Ca 0.10 2.34 -0.04 0.00 0.04 0.00 0.00 61.00 63.44 3khz s PRO 101 Cb -0.21 -3.06 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 3khz s PRO 101 CO -0.05 -0.37 -0.03 0.08 0.04 0.00 0.00 177.00 176.68 3khz s VAL 102 N -0.70 3.57 -0.22 -0.36 1.01 -0.71 -4.96 120.40 118.04 3khz s VAL 102 Ca 0.54 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 3khz s VAL 102 Cb -0.42 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 3khz s VAL 102 CO 0.52 0.42 0.38 -0.69 0.00 0.00 0.00 175.10 175.72 3khz s VAL 103 N 1.37 5.20 0.16 2.92 1.01 -1.26 -0.13 120.40 129.67 3khz s VAL 103 Ca 0.04 0.64 0.02 0.00 0.00 0.00 0.00 61.98 62.69 3khz s VAL 103 Cb -0.14 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.55 3khz s VAL 103 CO -0.01 0.24 0.15 0.41 0.00 0.00 0.00 175.10 175.89 3khz n THR 104 N 4.49 0.00 0.20 3.92 -1.04 0.65 -4.98 114.28 117.53 3khz n THR 104 Ca -0.09 -0.60 -0.09 0.00 -2.04 0.00 0.00 64.05 61.23 3khz n THR 104 Cb 0.51 -0.53 -0.05 0.00 -1.82 0.00 0.00 70.33 68.45 3khz n THR 104 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 3khz h GLU 105 N 0.00 -0.55 0.00 -2.82 9.09 -2.04 -3.31 114.58 114.95 3khz h GLU 105 Ca -0.09 0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.35 3khz h GLU 105 Cb 0.36 0.13 0.00 0.00 -1.65 0.00 0.00 28.75 27.59 3khz h GLU 105 CO 0.14 -0.37 -0.90 -0.40 0.05 0.00 0.00 179.01 177.53 3khz n ASP 106 N -3.76 0.68 -4.05 3.06 5.68 -1.26 -4.95 116.55 111.93 3khz n ASP 106 Ca -0.07 0.05 -0.09 0.00 -0.50 0.00 0.00 54.79 54.18 3khz n ASP 106 Cb 0.24 0.51 -0.09 0.00 -1.14 0.00 0.00 41.12 40.64 3khz n ASP 106 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3khz s ALA 107 N -3.23 0.45 -0.10 2.12 0.00 -1.25 0.12 121.76 119.86 3khz s ALA 107 Ca 0.03 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.84 3khz s ALA 107 Cb 0.13 0.66 0.02 0.00 0.00 0.00 0.00 23.12 23.92 3khz s ALA 107 CO 0.77 -0.49 -0.13 -1.50 0.00 0.00 0.00 175.76 174.41 3khz s ILE 108 N -3.97 1.31 -0.25 0.00 1.10 -0.06 0.24 121.20 119.56 3khz s ILE 108 Ca 0.16 -0.52 -0.05 0.00 -0.51 0.00 0.00 60.65 59.73 3khz s ILE 108 Cb 0.06 -1.22 0.00 0.00 0.15 0.00 0.00 42.46 41.45 3khz s ILE 108 CO -0.03 0.40 0.00 -0.63 -2.11 0.00 0.00 174.94 172.57 3khz s ILE 109 N 1.12 3.53 -0.18 2.00 1.01 0.82 -1.52 121.20 127.97 3khz s ILE 109 Ca -0.05 -0.65 -0.35 0.00 0.00 0.00 0.00 60.65 59.60 3khz s ILE 109 Cb -0.14 -2.72 0.14 0.00 0.01 0.00 0.00 42.46 39.74 3khz s ILE 109 CO -0.03 0.25 1.24 0.00 0.00 0.00 0.00 174.94 176.41 3khz s ALA 110 N 1.46 -2.11 0.32 9.38 0.00 -0.77 -1.73 121.76 128.31 3khz s ALA 110 Ca 0.04 1.54 -0.29 0.00 0.00 0.00 0.00 51.96 53.24 3khz s ALA 110 Cb -0.16 -0.10 -0.10 0.00 0.00 0.00 0.00 23.12 22.76 3khz s ALA 110 CO -0.01 -0.64 1.35 0.50 0.00 0.00 0.00 175.76 176.96 3khz s ARG 111 N -2.37 4.31 0.00 0.00 6.06 -0.84 -2.87 118.95 123.24 3khz s ARG 111 Ca 0.10 2.28 0.00 0.00 -2.50 0.00 0.00 55.73 55.61 3khz s ARG 111 Cb -0.00 -3.06 0.00 0.00 0.06 0.00 0.00 34.95 31.94 3khz s ARG 111 CO -0.04 -0.27 0.00 0.41 -2.50 0.00 0.00 175.30 172.89 3khz n GLY 112 N 1.00 1.86 0.27 8.12 0.00 -1.26 -4.89 105.19 110.29 3khz n GLY 112 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 3khz n GLY 112 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3khz h THR 113 N 0.00 0.62 0.00 2.61 1.35 -1.86 0.10 112.91 115.73 3khz h THR 113 Ca 0.00 -0.14 -0.13 0.00 -0.55 0.00 0.00 66.41 65.59 3khz h THR 113 Cb 0.00 0.19 -0.02 0.00 -1.73 0.00 0.00 68.15 66.59 3khz h THR 113 CO 0.00 0.07 -0.79 -0.07 -0.25 0.00 0.00 175.52 174.48 3khz h LEU 114 N 0.40 0.00 -7.67 3.87 4.07 -1.84 -2.35 115.31 111.79 3khz h LEU 114 Ca 0.42 -0.55 -0.66 0.00 0.08 0.00 0.00 57.88 57.16 3khz h LEU 114 Cb 0.65 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 42.00 3khz h LEU 114 CO -0.43 1.23 -0.70 -0.62 -1.08 0.00 0.00 178.44 176.84 3khz s ASP 115 N -6.50 4.77 0.00 -0.43 2.15 -1.24 -4.42 116.67 111.00 3khz s ASP 115 Ca -0.23 -2.22 0.00 0.00 0.43 0.00 0.00 52.55 50.53 3khz s ASP 115 Cb 0.03 -1.64 0.00 0.00 -0.30 0.00 0.00 42.92 41.01 3khz s ASP 115 CO 0.54 -0.38 0.15 -0.67 -0.17 0.00 0.00 175.17 174.64 3khz n ASP 116 N 4.18 0.30 -0.30 -0.34 2.03 -1.19 -4.16 116.55 117.06 3khz n ASP 116 Ca 0.04 -0.63 0.17 0.00 0.52 0.00 0.00 54.79 54.89 3khz n ASP 116 Cb 0.41 0.40 0.44 0.00 -0.72 0.00 0.00 41.12 41.65 3khz n ASP 116 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3khz h LYS 117 N 0.00 0.53 0.62 -0.67 1.57 -0.99 0.14 116.57 117.77 3khz h LYS 117 Ca 0.00 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3khz h LYS 117 Cb 0.06 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.26 3khz h LYS 117 CO 0.00 0.35 -0.30 0.78 -0.57 0.00 0.00 179.45 179.71 3khz h GLY 118 N 0.54 -0.87 2.00 3.86 0.00 -1.32 -1.47 103.07 105.81 3khz h GLY 118 Ca 0.53 0.32 -0.06 0.00 0.00 0.00 0.00 47.33 48.12 3khz h GLY 118 CO -0.26 -0.32 -0.28 -2.55 0.00 0.00 0.00 176.54 173.13 3khz h PRO 119 N -0.89 0.00 -0.47 4.80 0.11 -0.99 -1.20 132.00 133.35 3khz h PRO 119 Ca -0.09 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 3khz h PRO 119 Cb 0.66 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.75 3khz h PRO 119 CO 0.14 0.28 0.21 1.15 -0.21 0.00 0.00 178.00 179.56 3khz h THR 120 N 0.00 1.20 -0.27 -1.15 2.02 -0.98 0.31 112.91 114.04 3khz h THR 120 Ca -0.00 -0.59 -0.06 0.00 0.77 0.00 0.00 66.41 66.53 3khz h THR 120 Cb 0.53 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3khz h THR 120 CO 0.04 0.23 -0.06 0.40 0.37 0.00 0.00 175.52 176.50 3khz h ILE 121 N 0.62 1.28 -0.55 3.11 1.08 -0.79 -2.22 117.51 120.04 3khz h ILE 121 Ca 0.16 -1.06 0.11 0.00 -0.39 0.00 0.00 64.86 63.67 3khz h ILE 121 Cb 0.16 1.43 -0.09 0.00 -3.07 0.00 0.00 36.82 35.26 3khz h ILE 121 CO -0.02 0.33 0.05 0.00 -0.69 0.00 0.00 178.15 177.83 3khz h ALA 122 N 0.78 0.57 -0.42 1.87 0.00 -1.05 0.97 119.26 121.98 3khz h ALA 122 Ca 0.07 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3khz h ALA 122 Cb 0.52 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3khz h ALA 122 CO 0.02 -0.36 0.18 0.00 0.00 0.00 0.00 179.25 179.10 3khz h ALA 123 N 1.47 0.55 -0.38 0.00 0.00 -0.82 -1.90 119.26 118.18 3khz h ALA 123 Ca 0.28 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3khz h ALA 123 Cb 0.42 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3khz h ALA 123 CO -0.42 0.14 -0.10 -0.92 0.00 0.00 0.00 179.25 177.95 3khz h TYR 124 N 0.54 0.72 -0.05 0.00 5.03 -0.79 -2.52 116.97 119.91 3khz h TYR 124 Ca 0.14 -0.12 -0.18 0.00 2.58 0.00 0.00 58.73 61.16 3khz h TYR 124 Cb 0.17 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.25 3khz h TYR 124 CO -0.00 0.74 -0.74 1.88 -1.32 0.00 0.00 178.16 178.72 3khz h TYR 125 N 0.61 0.37 -0.60 -3.82 -1.99 -0.56 -0.87 116.97 110.11 3khz h TYR 125 Ca 0.11 -0.17 0.10 0.00 2.00 0.00 0.00 58.73 60.76 3khz h TYR 125 Cb 0.53 -0.06 -0.07 0.00 2.00 0.00 0.00 36.73 39.13 3khz h TYR 125 CO 0.02 0.91 0.21 0.00 -0.00 0.00 0.00 178.16 179.31 3khz h ALA 126 N 1.04 0.76 -0.59 3.88 0.00 -1.01 0.32 119.26 123.66 3khz h ALA 126 Ca -0.03 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3khz h ALA 126 Cb 1.30 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 3khz h ALA 126 CO 0.12 -0.21 0.05 0.82 0.00 0.00 0.00 179.25 180.02 3khz h ILE 127 N 0.38 1.26 -0.32 0.00 2.04 -1.10 -1.76 117.51 118.01 3khz h ILE 127 Ca 0.30 -1.05 -0.12 0.00 1.00 0.00 0.00 64.86 65.00 3khz h ILE 127 Cb 0.39 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3khz h ILE 127 CO -0.32 0.38 -0.26 0.50 0.00 0.00 0.00 178.15 178.46 3khz h LYS 128 N 0.92 0.75 0.23 2.37 3.11 -0.35 -1.05 116.57 122.54 3khz h LYS 128 Ca 0.18 -0.37 -0.01 0.00 -2.81 0.00 0.00 60.65 57.63 3khz h LYS 128 Cb 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.70 3khz h LYS 128 CO 0.02 0.99 -0.11 0.82 -2.81 0.00 0.00 179.45 178.36 3khz h ILE 129 N 0.51 0.78 -0.97 2.00 2.04 -0.34 0.15 117.51 121.69 3khz h ILE 129 Ca 0.06 -0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.00 3khz h ILE 129 Cb 0.82 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 37.62 3khz h ILE 129 CO 0.07 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.77 3khz h LEU 130 N -0.30 0.96 -0.51 1.44 3.38 -1.25 -1.59 115.31 117.43 3khz h LEU 130 Ca -0.03 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3khz h LEU 130 Cb 0.23 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3khz h LEU 130 CO 0.05 0.58 0.12 -0.08 0.09 0.00 0.00 178.44 179.20 3khz h GLU 131 N 1.07 0.82 -0.71 1.13 4.57 -0.62 -2.89 114.58 117.94 3khz h GLU 131 Ca 0.44 -0.20 0.08 0.00 -1.18 0.00 0.00 59.36 58.49 3khz h GLU 131 Cb 0.28 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.72 3khz h GLU 131 CO -0.19 0.79 0.47 -0.44 -1.18 0.00 0.00 179.01 178.46 3khz h ASP 132 N 0.71 0.59 0.00 1.04 3.32 0.24 0.28 116.42 122.60 3khz h ASP 132 Ca 0.16 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3khz h ASP 132 Cb 0.35 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3khz h ASP 132 CO 0.00 0.37 0.06 0.23 -1.72 0.00 0.00 179.24 178.19 3khz n MET 133 N -4.49 0.02 -3.55 3.56 2.81 -0.86 -4.79 117.12 109.82 3khz n MET 133 Ca 0.11 0.47 -0.26 0.00 -1.81 0.00 0.00 57.70 56.21 3khz n MET 133 Cb 0.28 -1.62 -0.00 0.00 -0.71 0.00 0.00 33.22 31.17 3khz n MET 133 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3khz n ASN 134 N -1.55 -3.80 -4.74 7.83 6.94 0.98 -4.93 115.26 115.99 3khz n ASN 134 Ca -0.00 -0.52 -0.34 0.00 -0.02 0.00 0.00 54.58 53.70 3khz n ASN 134 Cb 0.07 -3.12 0.07 0.00 -2.36 0.00 0.00 39.78 34.44 3khz n ASN 134 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3khz s VAL 135 N -3.02 2.68 -0.77 3.53 -7.23 -1.22 -4.96 120.40 109.42 3khz s VAL 135 Ca 0.48 0.33 -0.18 0.00 -1.81 0.00 0.00 61.98 60.80 3khz s VAL 135 Cb -0.25 -2.87 0.14 0.00 0.56 0.00 0.00 36.38 33.96 3khz s VAL 135 CO 0.59 -0.19 0.88 -0.62 -0.31 0.00 0.00 175.10 175.46 3khz s ASP 136 N -2.25 6.47 0.68 4.85 2.15 -1.26 -4.97 116.67 122.33 3khz s ASP 136 Ca 0.71 -1.90 -0.15 0.00 0.43 0.00 0.00 52.55 51.64 3khz s ASP 136 Cb -0.25 -2.32 0.01 0.00 -0.30 0.00 0.00 42.92 40.05 3khz s ASP 136 CO 0.44 -1.00 1.14 0.26 -0.17 0.00 0.00 175.17 175.84 3khz s TRP 137 N 2.21 2.43 0.00 -5.34 0.52 -1.26 -4.75 118.94 112.74 3khz s TRP 137 Ca 0.21 1.57 0.00 0.00 0.02 0.00 0.00 56.10 57.90 3khz s TRP 137 Cb -0.14 -3.27 0.00 0.00 -1.15 0.00 0.00 33.47 28.91 3khz s TRP 137 CO -0.02 -1.99 0.50 1.63 0.02 0.00 0.00 176.95 177.09 3khz n LYS 138 N -2.50 0.24 -3.89 4.98 4.01 -0.11 -4.60 118.16 116.30 3khz n LYS 138 Ca 0.11 -0.62 -0.11 0.00 -0.51 0.00 0.00 58.31 57.19 3khz n LYS 138 Cb 0.51 -0.83 -0.10 0.00 -0.51 0.00 0.00 35.03 34.10 3khz n LYS 138 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3khz s LYS 139 N -0.23 0.47 0.36 1.97 1.02 0.79 -4.49 119.74 119.63 3khz s LYS 139 Ca 0.00 -0.46 -0.11 0.00 0.02 0.00 0.00 55.97 55.42 3khz s LYS 139 Cb 0.00 0.19 -0.07 0.00 -0.52 0.00 0.00 37.83 37.43 3khz s LYS 139 CO 0.00 -0.11 0.73 1.03 -0.92 0.00 0.00 175.35 176.08 3khz s ARG 140 N -1.50 3.84 -0.05 1.68 0.52 0.87 -1.37 118.95 122.94 3khz s ARG 140 Ca -0.14 0.48 0.04 0.00 -0.52 0.00 0.00 55.73 55.59 3khz s ARG 140 Cb -0.07 -2.44 0.00 0.00 0.52 0.00 0.00 34.95 32.96 3khz s ARG 140 CO 0.01 0.06 -0.15 0.42 0.02 0.00 0.00 175.30 175.66 3khz s ILE 141 N -2.19 1.31 -0.21 1.52 1.01 0.93 -0.37 121.20 123.20 3khz s ILE 141 Ca 0.51 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.54 3khz s ILE 141 Cb -0.10 -1.15 0.04 0.00 0.01 0.00 0.00 42.46 41.26 3khz s ILE 141 CO 0.26 0.39 -0.11 -1.00 0.00 0.00 0.00 174.94 174.48 3khz s HIS 142 N 0.22 2.59 -0.48 3.97 3.76 0.52 -1.30 115.29 124.57 3khz s HIS 142 Ca -0.07 -1.72 -0.21 0.00 -0.15 0.00 0.00 55.06 52.91 3khz s HIS 142 Cb -0.12 -1.71 0.04 0.00 1.11 0.00 0.00 32.58 31.89 3khz s HIS 142 CO 0.03 -0.77 0.72 1.41 -0.85 0.00 0.00 174.74 175.28 3khz s MET 143 N 1.34 3.28 -0.22 1.40 0.00 -0.54 -1.51 119.30 123.03 3khz s MET 143 Ca -0.02 -0.42 -0.10 0.00 0.00 0.00 0.00 55.69 55.15 3khz s MET 143 Cb -0.17 -4.00 -0.05 0.00 0.00 0.00 0.00 34.83 30.61 3khz s MET 143 CO -0.08 -1.17 0.14 0.42 0.00 0.00 0.00 175.02 174.32 3khz s ILE 144 N 3.09 5.28 -0.10 10.11 1.01 -0.13 -1.40 121.20 139.06 3khz s ILE 144 Ca 0.24 0.15 0.01 0.00 0.00 0.00 0.00 60.65 61.05 3khz s ILE 144 Cb -0.15 -3.44 0.02 0.00 0.01 0.00 0.00 42.46 38.90 3khz s ILE 144 CO 0.18 0.38 -0.13 -0.63 0.00 0.00 0.00 174.94 174.74 3khz s ILE 145 N 0.82 1.33 0.42 2.92 1.01 0.77 -0.48 121.20 128.00 3khz s ILE 145 Ca 0.07 -0.54 0.07 0.00 0.00 0.00 0.00 60.65 60.25 3khz s ILE 145 Cb -0.13 -1.24 -0.06 0.00 0.01 0.00 0.00 42.46 41.04 3khz s ILE 145 CO 0.02 0.41 0.12 -0.83 0.00 0.00 0.00 174.94 174.66 3khz s GLY 146 N 1.08 2.44 0.00 6.18 0.00 -0.08 -1.03 107.32 115.91 3khz s GLY 146 Ca -0.05 -2.06 0.00 0.00 0.00 0.00 0.00 44.72 42.60 3khz s GLY 146 CO -0.02 -2.00 0.00 -1.30 0.00 0.00 0.00 173.10 169.78 3khz n THR 147 N -1.16 0.00 -3.31 0.90 -2.24 -1.08 -1.68 114.28 105.71 3khz n THR 147 Ca -0.03 -0.01 -0.45 0.00 -2.27 0.00 0.00 64.05 61.29 3khz n THR 147 Cb 0.66 0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 3khz n THR 147 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3khz s ASP 148 N -0.21 6.18 0.65 3.42 2.15 -1.26 -4.52 116.67 123.07 3khz s ASP 148 Ca 0.00 -1.49 0.44 0.00 0.43 0.00 0.00 52.55 51.93 3khz s ASP 148 Cb 0.00 -2.22 2.37 0.00 -0.30 0.00 0.00 42.92 42.77 3khz s ASP 148 CO 0.00 -0.81 2.34 1.05 -0.17 0.00 0.00 175.17 177.58 3khz h GLU 149 N 8.88 0.00 0.00 4.34 4.11 -1.97 -2.02 114.58 127.92 3khz h GLU 149 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 3khz h GLU 149 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3khz h GLU 149 CO 0.98 0.00 0.00 0.39 0.07 0.00 0.00 179.01 180.45 3khz n GLU 150 N -3.03 0.12 -4.05 1.06 -0.58 -1.26 -4.75 120.64 108.14 3khz n GLU 150 Ca -0.03 0.24 -0.26 0.00 -0.42 0.00 0.00 57.16 56.70 3khz n GLU 150 Cb 0.07 -1.68 -0.05 0.00 -0.57 0.00 0.00 31.44 29.21 3khz n GLU 150 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3khz s SER 151 N -3.73 5.73 -0.16 1.62 1.04 -0.76 -5.02 113.70 112.42 3khz s SER 151 Ca 0.08 -0.07 0.14 0.00 0.48 0.00 0.00 55.95 56.59 3khz s SER 151 Cb 0.12 -1.56 0.35 0.00 0.10 0.00 0.00 66.02 65.04 3khz s SER 151 CO 0.43 0.05 1.18 0.47 0.98 0.00 0.00 173.24 176.36 3khz n ASP 152 N -0.52 1.85 -1.11 7.02 8.00 -1.26 -4.98 116.55 125.55 3khz n ASP 152 Ca -0.08 -3.42 -0.10 0.00 0.71 0.00 0.00 54.79 51.90 3khz n ASP 152 Cb 0.55 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 41.17 3khz n ASP 152 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3khz n TRP 153 N -1.12 -0.43 -1.85 1.24 5.03 -1.26 -4.30 117.44 114.75 3khz n TRP 153 Ca 0.16 0.00 -0.32 0.00 3.03 0.00 0.00 57.50 60.37 3khz n TRP 153 Cb 0.70 -2.39 0.03 0.00 -1.03 0.00 0.00 31.31 28.62 3khz n TRP 153 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 3khz s LYS 154 N -4.32 3.05 0.00 -0.99 1.02 -1.26 -0.10 119.74 117.15 3khz s LYS 154 Ca 0.00 1.22 0.05 0.00 0.02 0.00 0.00 55.97 57.26 3khz s LYS 154 Cb 0.00 -2.00 0.21 0.00 -0.52 0.00 0.00 37.83 35.52 3khz s LYS 154 CO 0.00 -1.03 1.08 0.00 -0.92 0.00 0.00 175.35 174.49 3khz h THR 156 N 0.00 0.15 -3.66 0.00 1.03 -1.91 -3.30 112.91 105.22 3khz h THR 156 Ca 0.00 -1.30 -0.46 0.00 -0.01 0.00 0.00 66.41 64.64 3khz h THR 156 Cb 0.06 1.68 0.08 0.00 -1.07 0.00 0.00 68.15 68.91 3khz h THR 156 CO 0.00 0.09 0.23 -1.81 -0.01 0.00 0.00 175.52 174.02 3khz s ASP 157 N -5.52 4.70 0.17 0.00 1.01 0.35 -4.71 116.67 112.67 3khz s ASP 157 Ca -0.01 0.39 -0.16 0.00 0.71 0.00 0.00 52.55 53.48 3khz s ASP 157 Cb 0.09 -1.00 0.12 0.00 1.01 0.00 0.00 42.92 43.15 3khz s ASP 157 CO 0.79 -1.67 1.67 -0.09 0.21 0.00 0.00 175.17 176.09 3khz h ARG 158 N -0.64 0.03 0.13 8.23 9.65 -1.93 -1.82 114.38 128.04 3khz h ARG 158 Ca -0.44 -0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.46 3khz h ARG 158 Cb 1.31 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.85 3khz h ARG 158 CO 0.58 0.02 -0.29 -0.92 2.80 0.00 0.00 179.97 182.16 3khz h TYR 159 N 0.03 -0.79 0.00 2.20 3.20 -1.93 -3.18 116.97 116.50 3khz h TYR 159 Ca 0.21 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.10 3khz h TYR 159 Cb 0.32 0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.92 3khz h TYR 159 CO -0.35 -0.40 0.00 0.74 -1.64 0.00 0.00 178.16 176.51 3khz h PHE 160 N -0.52 0.00 -1.00 -3.82 0.04 -1.68 -1.57 116.94 108.39 3khz h PHE 160 Ca 0.03 0.00 0.35 0.00 2.80 0.00 0.00 57.97 61.15 3khz h PHE 160 Cb 0.54 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 38.53 3khz h PHE 160 CO -0.26 0.00 0.53 0.87 -0.60 0.00 0.00 178.31 178.85 3khz h LYS 161 N 0.00 0.19 0.00 1.51 1.57 -1.32 -3.33 116.57 115.19 3khz h LYS 161 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3khz h LYS 161 Cb 0.74 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3khz h LYS 161 CO 0.00 0.12 -0.65 0.25 -0.57 0.00 0.00 179.45 178.61 3khz n THR 162 N -5.15 0.00 -3.08 -0.16 -2.24 -1.09 -5.09 114.28 97.47 3khz n THR 162 Ca 0.33 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.82 3khz n THR 162 Cb 1.08 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 3khz n THR 162 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3khz s GLU 163 N -1.43 3.70 0.40 -0.78 0.41 -0.61 -5.03 118.70 115.37 3khz s GLU 163 Ca 0.00 0.24 -0.27 0.00 -0.41 0.00 0.00 54.97 54.53 3khz s GLU 163 Cb 0.00 -2.51 -0.10 0.00 -1.78 0.00 0.00 34.13 29.73 3khz s GLU 163 CO 0.00 0.08 1.47 -1.91 -0.49 0.00 0.00 175.26 174.41 3khz n GLU 164 N -1.15 2.53 -2.90 1.61 2.13 -1.26 -4.70 120.64 116.89 3khz n GLU 164 Ca 0.00 0.89 -0.41 0.00 0.66 0.00 0.00 57.16 58.30 3khz n GLU 164 Cb 0.54 -2.66 -0.04 0.00 0.27 0.00 0.00 31.44 29.55 3khz n GLU 164 CO 0.00 0.00 0.00 1.41 -0.41 0.00 0.00 177.13 178.13 3khz s MET 165 N -2.23 4.36 0.39 5.31 -2.45 -1.26 -5.02 119.30 118.39 3khz s MET 165 Ca 0.56 1.04 -0.27 0.00 -1.25 0.00 0.00 55.69 55.77 3khz s MET 165 Cb -0.47 -3.53 -0.11 0.00 1.25 0.00 0.00 34.83 31.98 3khz s MET 165 CO 0.62 -0.20 1.39 -2.30 1.05 0.00 0.00 175.02 175.57 3khz n PRO 166 N 4.73 2.33 0.19 4.11 -0.02 -1.26 -4.84 135.00 140.24 3khz n PRO 166 Ca 0.03 0.82 0.08 0.00 -2.02 0.00 0.00 63.50 62.41 3khz n PRO 166 Cb 0.50 -2.52 0.15 0.00 -0.02 0.00 0.00 33.50 31.60 3khz n PRO 166 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3khz h THR 167 N 2.59 0.44 -2.81 3.45 1.03 -1.09 -0.56 112.91 115.97 3khz h THR 167 Ca -0.49 -1.55 0.10 0.00 -0.01 0.00 0.00 66.41 64.46 3khz h THR 167 Cb 1.27 2.16 -0.05 0.00 -1.07 0.00 0.00 68.15 70.45 3khz h THR 167 CO 0.62 0.24 0.31 -1.48 -0.01 0.00 0.00 175.52 175.21 3khz s LEU 168 N -6.37 -0.21 0.00 0.00 2.34 -1.18 -4.31 118.68 108.95 3khz s LEU 168 Ca 0.05 -0.59 0.00 0.00 0.06 0.00 0.00 54.13 53.64 3khz s LEU 168 Cb 0.07 2.57 0.00 0.00 -0.56 0.00 0.00 46.19 48.26 3khz s LEU 168 CO 0.70 -1.24 0.00 0.61 -1.06 0.00 0.00 176.35 175.35 3khz n GLY 169 N -0.47 -1.28 3.00 -3.48 0.00 -1.26 -1.08 105.19 100.62 3khz n GLY 169 Ca -0.05 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.58 3khz n GLY 169 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3khz s PHE 170 N -3.00 1.22 -0.46 1.61 5.36 -0.39 -4.45 117.98 117.87 3khz s PHE 170 Ca 0.00 -0.41 0.05 0.00 -0.96 0.00 0.00 56.93 55.62 3khz s PHE 170 Cb 0.00 -0.92 0.18 0.00 -0.34 0.00 0.00 43.02 41.94 3khz s PHE 170 CO 0.00 -0.22 0.52 0.00 -1.46 0.00 0.00 175.22 174.06 3khz s ALA 171 N 0.61 -0.27 0.41 11.12 0.00 -1.26 -1.71 121.76 130.66 3khz s ALA 171 Ca -0.12 -1.49 0.12 0.00 0.00 0.00 0.00 51.96 50.48 3khz s ALA 171 Cb -0.14 -2.12 0.87 0.00 0.00 0.00 0.00 23.12 21.73 3khz s ALA 171 CO 0.02 -2.10 1.94 -1.00 0.00 0.00 0.00 175.76 174.63 3khz h PRO 172 N 5.35 0.11 -0.48 0.00 0.14 -1.98 -2.72 132.00 132.41 3khz h PRO 172 Ca 0.17 -0.03 0.00 0.00 0.14 0.00 0.00 66.00 66.28 3khz h PRO 172 Cb 1.00 -0.02 0.00 0.00 0.14 0.00 0.00 31.00 32.13 3khz h PRO 172 CO 0.20 0.29 0.00 -0.25 0.14 0.00 0.00 178.00 178.38 3khz n ASP 173 N -4.28 3.52 -4.44 1.44 10.43 -1.26 -4.93 116.55 117.02 3khz n ASP 173 Ca -0.02 -1.97 -0.33 0.00 2.57 0.00 0.00 54.79 55.05 3khz n ASP 173 Cb 0.27 -0.32 -0.14 0.00 1.84 0.00 0.00 41.12 42.78 3khz n ASP 173 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3khz s ALA 174 N -1.25 2.60 0.02 2.24 0.00 -1.03 -5.02 121.76 119.33 3khz s ALA 174 Ca 0.39 -0.98 0.10 0.00 0.00 0.00 0.00 51.96 51.48 3khz s ALA 174 Cb 0.22 -0.95 -0.20 0.00 0.00 0.00 0.00 23.12 22.19 3khz s ALA 174 CO 0.30 0.52 0.98 1.49 0.00 0.00 0.00 175.76 179.04 3khz h GLU 175 N 5.52 0.00 -1.43 0.00 4.81 -1.87 -3.40 114.58 118.21 3khz h GLU 175 Ca -0.43 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.32 3khz h GLU 175 Cb 1.16 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.13 3khz h GLU 175 CO 0.50 0.71 -0.98 1.19 -0.73 0.00 0.00 179.01 179.70 3khz n PHE 176 N -3.18 2.14 -1.20 0.92 3.72 -1.26 -4.90 117.46 113.70 3khz n PHE 176 Ca -0.08 -3.15 -0.33 0.00 -0.05 0.00 0.00 57.45 53.84 3khz n PHE 176 Cb 0.98 -0.29 0.11 0.00 -0.94 0.00 0.00 39.48 39.35 3khz n PHE 176 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3khz s PRO 177 N -3.23 1.81 -1.31 -1.08 0.04 -1.26 -4.30 135.00 125.68 3khz s PRO 177 Ca 0.38 1.65 -0.13 0.00 0.04 0.00 0.00 61.00 62.94 3khz s PRO 177 Cb 0.41 -1.81 0.12 0.00 0.04 0.00 0.00 34.50 33.26 3khz s PRO 177 CO -0.07 -2.06 1.81 0.00 0.04 0.00 0.00 177.00 176.71 3khz s ILE 179 N 2.17 1.29 0.51 0.00 1.01 -1.26 -4.15 121.20 120.78 3khz s ILE 179 Ca 0.45 -0.69 -0.23 0.00 0.00 0.00 0.00 60.65 60.18 3khz s ILE 179 Cb 0.06 -1.08 -0.06 0.00 0.01 0.00 0.00 42.46 41.39 3khz s ILE 179 CO 0.00 0.37 1.37 -1.00 0.00 0.00 0.00 174.94 175.68 3khz s HIS 180 N -0.33 2.36 0.00 3.97 3.76 -0.22 -4.19 115.29 120.63 3khz s HIS 180 Ca 0.05 1.34 0.00 0.00 -0.15 0.00 0.00 55.06 56.30 3khz s HIS 180 Cb -0.07 -3.83 0.00 0.00 1.11 0.00 0.00 32.58 29.79 3khz s HIS 180 CO -0.00 -2.88 0.00 0.41 -0.85 0.00 0.00 174.74 171.42 3khz n GLY 181 N 0.67 -0.63 3.69 -2.22 0.00 -1.25 -4.54 105.19 100.90 3khz n GLY 181 Ca 0.09 0.54 -0.38 0.00 0.00 0.00 0.00 46.02 46.26 3khz n GLY 181 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3khz s GLU 182 N 0.75 4.21 0.46 1.61 2.56 0.54 -4.95 118.70 123.89 3khz s GLU 182 Ca 0.00 0.20 -0.23 0.00 0.00 0.00 0.00 54.97 54.95 3khz s GLU 182 Cb 0.00 -3.50 -0.09 0.00 2.00 0.00 0.00 34.13 32.53 3khz s GLU 182 CO 0.00 0.04 0.97 1.63 -0.56 0.00 0.00 175.26 177.34 3khz n LYS 183 N 4.21 1.22 -1.69 4.30 4.76 -1.26 -1.99 118.16 127.70 3khz n LYS 183 Ca -0.09 0.44 -0.32 0.00 -2.87 0.00 0.00 58.31 55.48 3khz n LYS 183 Cb 0.51 -2.04 0.05 0.00 -1.84 0.00 0.00 35.03 31.70 3khz n LYS 183 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3khz s GLY 184 N -0.85 1.91 -0.21 0.72 0.00 0.16 -4.53 107.32 104.51 3khz s GLY 184 Ca 0.66 0.31 -0.15 0.00 0.00 0.00 0.00 44.72 45.54 3khz s GLY 184 CO 0.55 0.63 0.53 -1.50 0.00 0.00 0.00 173.10 173.32 3khz s ILE 185 N -2.70 -0.01 0.29 0.90 -1.16 -0.12 -0.96 121.20 117.44 3khz s ILE 185 Ca 0.62 0.03 0.03 0.00 -0.51 0.00 0.00 60.65 60.82 3khz s ILE 185 Cb -0.16 -0.77 -0.06 0.00 0.61 0.00 0.00 42.46 42.08 3khz s ILE 185 CO 0.47 0.01 0.08 -0.89 -2.81 0.00 0.00 174.94 171.80 3khz s THR 186 N 1.04 0.88 0.10 4.00 2.01 0.26 -0.80 115.64 123.13 3khz s THR 186 Ca -0.06 -2.00 0.05 0.00 0.31 0.00 0.00 61.69 59.99 3khz s THR 186 Cb -0.06 -2.72 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 3khz s THR 186 CO -0.09 -0.00 -0.14 0.42 -0.69 0.00 0.00 174.62 174.11 3khz s THR 187 N -3.52 1.22 0.03 -0.82 -4.23 -1.21 -0.21 115.64 106.90 3khz s THR 187 Ca 0.37 -1.54 -0.27 0.00 -1.18 0.00 0.00 61.69 59.07 3khz s THR 187 Cb 0.08 -1.33 0.09 0.00 1.34 0.00 0.00 72.50 72.68 3khz s THR 187 CO 0.15 -0.34 0.80 0.72 -0.54 0.00 0.00 174.62 175.40 3khz s PHE 188 N -1.78 -0.42 -0.03 3.99 -0.12 -0.65 -0.08 117.98 118.88 3khz s PHE 188 Ca 0.04 0.32 -0.01 0.00 -0.05 0.00 0.00 56.93 57.23 3khz s PHE 188 Cb -0.07 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 3khz s PHE 188 CO 0.02 -0.63 0.07 -0.51 -0.05 0.00 0.00 175.22 174.13 3khz s ASP 189 N -2.41 5.66 -0.33 1.98 1.01 -0.24 -0.02 116.67 122.33 3khz s ASP 189 Ca 0.03 0.18 -0.11 0.00 0.71 0.00 0.00 52.55 53.36 3khz s ASP 189 Cb -0.01 -1.65 -0.01 0.00 1.01 0.00 0.00 42.92 42.27 3khz s ASP 189 CO -0.09 0.31 0.18 -0.76 0.21 0.00 0.00 175.17 175.03 3khz s LEU 190 N -1.47 4.29 -0.11 1.23 1.43 0.13 -1.06 118.68 123.12 3khz s LEU 190 Ca 0.20 -0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 52.76 3khz s LEU 190 Cb -0.12 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 3khz s LEU 190 CO 0.10 -0.23 -0.10 -0.69 0.23 0.00 0.00 176.35 175.66 3khz s VAL 191 N 1.64 3.33 0.10 -1.59 1.01 -0.42 -1.39 120.40 123.08 3khz s VAL 191 Ca 0.05 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.26 3khz s VAL 191 Cb -0.17 -2.39 -0.07 0.00 0.00 0.00 0.00 36.38 33.75 3khz s VAL 191 CO 0.08 0.54 0.59 -1.58 0.00 0.00 0.00 175.10 174.73 3khz s GLN 192 N -0.03 4.20 -0.21 2.72 0.74 -0.69 -0.92 119.66 125.47 3khz s GLN 192 Ca -0.02 0.75 -0.24 0.00 0.05 0.00 0.00 55.36 55.90 3khz s GLN 192 Cb -0.14 -3.17 -0.01 0.00 1.10 0.00 0.00 33.01 30.79 3khz s GLN 192 CO 0.04 0.59 0.81 -0.80 -0.55 0.00 0.00 175.29 175.38 3khz s ASN 193 N -1.24 6.86 0.45 6.67 0.01 0.94 -4.63 114.94 124.01 3khz s ASN 193 Ca 0.32 1.06 -0.24 0.00 -0.71 0.00 0.00 52.86 53.28 3khz s ASN 193 Cb -0.19 -2.43 -0.09 0.00 0.41 0.00 0.00 41.25 38.95 3khz s ASN 193 CO 0.20 -0.45 1.27 1.17 -1.51 0.00 0.00 177.10 177.78 3khz n LYS 194 N 5.63 1.84 -3.88 -0.60 0.00 -1.26 -4.97 118.16 114.92 3khz n LYS 194 Ca 0.04 0.66 -0.33 0.00 0.00 0.00 0.00 58.31 58.68 3khz n LYS 194 Cb 0.48 -2.41 -0.13 0.00 0.00 0.00 0.00 35.03 32.98 3khz n LYS 194 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3khz s LEU 195 N -2.02 4.78 -1.33 3.14 1.98 -1.26 -4.99 118.68 118.98 3khz s LEU 195 Ca 0.64 -2.67 -0.10 0.00 -2.89 0.00 0.00 54.13 49.10 3khz s LEU 195 Cb -0.48 -1.72 0.13 0.00 0.66 0.00 0.00 46.19 44.78 3khz s LEU 195 CO 0.56 -0.34 1.99 0.35 -1.89 0.00 0.00 176.35 177.02 3khz n THR 196 N 3.63 4.19 -3.80 3.68 -2.24 -1.26 -4.90 114.28 113.59 3khz n THR 196 Ca 0.05 -4.06 -0.03 0.00 -2.27 0.00 0.00 64.05 57.73 3khz n THR 196 Cb 0.37 -2.40 -0.00 0.00 -2.10 0.00 0.00 70.33 66.19 3khz n THR 196 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3khz n GLU 197 N 4.24 1.62 -5.20 -0.78 4.71 -1.26 -5.14 120.64 118.83 3khz n GLU 197 Ca 0.44 -0.39 -0.32 0.00 -0.01 0.00 0.00 57.16 56.88 3khz n GLU 197 Cb 0.36 0.07 -0.16 0.00 -1.01 0.00 0.00 31.44 30.71 3khz n GLU 197 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 177.13 177.38 3khz s ASP 198 N -1.33 3.24 0.20 1.62 -4.77 -1.26 -5.12 116.67 109.25 3khz s ASP 198 Ca 0.02 -0.45 -0.14 0.00 -3.30 0.00 0.00 52.55 48.68 3khz s ASP 198 Cb -0.00 -0.74 0.01 0.00 -1.09 0.00 0.00 42.92 41.09 3khz s ASP 198 CO 0.01 0.27 0.45 0.00 0.70 0.00 0.00 175.17 176.61 3khz s GLN 199 N -0.33 1.37 0.85 2.11 -2.07 -1.26 -5.16 119.66 115.17 3khz s GLN 199 Ca 0.02 -1.06 -0.11 0.00 -1.82 0.00 0.00 55.36 52.40 3khz s GLN 199 Cb -0.12 0.47 0.10 0.00 -1.09 0.00 0.00 33.01 32.37 3khz s GLN 199 CO 0.02 -0.56 1.13 -0.51 -1.32 0.00 0.00 175.29 174.05 3khz s ASP 200 N -2.94 3.63 0.29 12.60 1.11 -1.26 -4.94 116.67 125.16 3khz s ASP 200 Ca 0.15 2.05 -0.29 0.00 0.18 0.00 0.00 52.55 54.64 3khz s ASP 200 Cb 0.00 -2.55 -0.10 0.00 1.07 0.00 0.00 42.92 41.34 3khz s ASP 200 CO 0.01 -2.63 1.42 -0.70 1.18 0.00 0.00 175.17 174.46 3khz s GLU 201 N -4.71 4.26 0.13 8.23 2.12 -1.26 -5.00 118.70 122.47 3khz s GLU 201 Ca 0.65 2.34 0.01 0.00 0.36 0.00 0.00 54.97 58.32 3khz s GLU 201 Cb -0.21 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 3khz s GLU 201 CO 0.56 -0.39 0.29 -1.25 -0.54 0.00 0.00 175.26 173.93 3khz s PRO 202 N -0.98 3.47 0.40 4.30 0.04 -1.26 -4.98 135.00 135.99 3khz s PRO 202 Ca 0.56 -0.46 0.17 0.00 0.04 0.00 0.00 61.00 61.31 3khz s PRO 202 Cb -0.42 -2.96 1.07 0.00 0.04 0.00 0.00 34.50 32.23 3khz s PRO 202 CO 0.49 0.52 1.80 -0.44 0.04 0.00 0.00 177.00 179.41 3khz h ASP 203 N 2.45 0.46 -3.61 6.66 5.19 -1.91 -3.39 116.42 122.28 3khz h ASP 203 Ca -0.47 0.07 -0.23 0.00 -0.62 0.00 0.00 57.03 55.78 3khz h ASP 203 Cb 1.18 -0.01 -0.30 0.00 0.18 0.00 0.00 39.33 40.39 3khz h ASP 203 CO 0.71 0.13 -0.61 -0.31 -3.12 0.00 0.00 179.24 176.05 3khz s TYR 204 N -5.49 -0.12 -0.19 4.55 1.51 -0.76 -1.60 117.35 115.25 3khz s TYR 204 Ca -0.09 0.36 -0.00 0.00 -1.01 0.00 0.00 57.07 56.33 3khz s TYR 204 Cb 0.24 -0.03 0.01 0.00 -0.11 0.00 0.00 41.96 42.07 3khz s TYR 204 CO 0.79 -0.11 -0.16 -2.00 -1.11 0.00 0.00 175.55 172.97 3khz s GLU 205 N 0.61 3.11 -0.26 -0.62 2.12 0.26 -2.04 118.70 121.87 3khz s GLU 205 Ca -0.05 -0.77 -0.29 0.00 0.36 0.00 0.00 54.97 54.22 3khz s GLU 205 Cb -0.06 -2.68 -0.00 0.00 0.26 0.00 0.00 34.13 31.64 3khz s GLU 205 CO -0.03 -0.18 1.30 -1.17 -0.54 0.00 0.00 175.26 174.64 3khz s LEU 206 N 1.28 3.96 -0.20 2.70 2.96 -1.26 0.42 118.68 128.54 3khz s LEU 206 Ca 0.04 1.34 -0.22 0.00 -0.22 0.00 0.00 54.13 55.07 3khz s LEU 206 Cb -0.14 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.81 3khz s LEU 206 CO -0.09 -1.00 0.29 0.40 -1.32 0.00 0.00 176.35 174.63 3khz h ILE 207 N 5.84 1.00 -4.25 6.68 2.04 0.55 -3.44 117.51 125.94 3khz h ILE 207 Ca -0.26 -2.21 -0.14 0.00 1.00 0.00 0.00 64.86 63.25 3khz h ILE 207 Cb 1.10 2.36 -0.15 0.00 -0.74 0.00 0.00 36.82 39.40 3khz h ILE 207 CO 1.02 0.37 -0.62 0.42 0.00 0.00 0.00 178.15 179.34 3khz s THR 208 N -2.36 0.16 -0.12 -0.27 -4.23 -1.04 -3.59 115.64 104.19 3khz s THR 208 Ca -0.27 -1.76 -0.08 0.00 -1.18 0.00 0.00 61.69 58.39 3khz s THR 208 Cb 0.05 -1.73 0.04 0.00 1.34 0.00 0.00 72.50 72.20 3khz s THR 208 CO 0.61 -0.72 0.29 0.12 -0.54 0.00 0.00 174.62 174.39 3khz s PHE 209 N -3.97 -0.37 -0.07 3.99 5.36 -0.20 -0.86 117.98 121.87 3khz s PHE 209 Ca 0.14 0.86 -0.09 0.00 -0.96 0.00 0.00 56.93 56.88 3khz s PHE 209 Cb 0.07 0.11 0.02 0.00 -0.34 0.00 0.00 43.02 42.88 3khz s PHE 209 CO -0.05 -0.21 0.23 -1.59 -1.46 0.00 0.00 175.22 172.14 3khz s LYS 210 N 0.75 0.35 -0.28 10.12 -2.85 -0.61 -1.57 119.74 125.64 3khz s LYS 210 Ca -0.05 0.17 -0.19 0.00 -1.00 0.00 0.00 55.97 54.90 3khz s LYS 210 Cb -0.06 0.16 0.08 0.00 -2.06 0.00 0.00 37.83 35.96 3khz s LYS 210 CO -0.05 -0.06 0.73 0.45 0.10 0.00 0.00 175.35 176.52 3khz s SER 211 N -0.26 -0.85 0.00 0.03 0.15 -0.53 -1.22 113.70 111.02 3khz s SER 211 Ca -0.04 1.43 0.00 0.00 0.70 0.00 0.00 55.95 58.04 3khz s SER 211 Cb -0.03 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 65.66 3khz s SER 211 CO 0.01 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.83 3khz n GLY 212 N 3.78 -2.26 3.46 9.45 0.00 -1.24 -0.62 105.19 117.76 3khz n GLY 212 Ca -0.18 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 3khz n GLY 212 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3khz s GLU 213 N -0.77 1.72 -1.42 1.61 0.41 -1.01 -4.81 118.70 114.43 3khz s GLU 213 Ca 0.00 -1.63 -0.08 0.00 -0.41 0.00 0.00 54.97 52.85 3khz s GLU 213 Cb 0.00 0.42 -0.04 0.00 -1.78 0.00 0.00 34.13 32.73 3khz s GLU 213 CO 0.00 -0.69 2.85 0.54 -0.49 0.00 0.00 175.26 177.46 3khz n ARG 214 N -0.48 3.82 -4.37 1.61 1.74 -1.26 -4.28 116.66 113.44 3khz n ARG 214 Ca 0.01 -2.47 -0.21 0.00 -0.77 0.00 0.00 57.85 54.41 3khz n ARG 214 Cb 0.62 -2.69 -0.10 0.00 -1.02 0.00 0.00 32.46 29.27 3khz n ARG 214 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3khz s TYR 215 N 1.11 1.88 -1.33 -1.55 2.02 -1.26 -5.04 117.35 113.18 3khz s TYR 215 Ca 0.65 -0.48 -0.08 0.00 -0.37 0.00 0.00 57.07 56.79 3khz s TYR 215 Cb 0.19 -0.88 -0.03 0.00 -0.40 0.00 0.00 41.96 40.85 3khz s TYR 215 CO -0.07 0.43 2.82 -1.71 -1.57 0.00 0.00 175.55 175.45 3khz n ASN 216 N -0.19 8.12 -4.42 2.29 4.05 -1.26 -4.70 115.26 119.15 3khz n ASN 216 Ca -0.09 -2.78 -0.26 0.00 0.45 0.00 0.00 54.58 51.89 3khz n ASN 216 Cb 0.59 -1.47 -0.12 0.00 1.23 0.00 0.00 39.78 40.02 3khz n ASN 216 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 3khz s MET 217 N 0.77 1.50 -0.29 1.20 -1.94 -1.26 0.17 119.30 119.44 3khz s MET 217 Ca 0.64 -1.52 -0.26 0.00 -1.71 0.00 0.00 55.69 52.84 3khz s MET 217 Cb 0.20 -1.80 0.01 0.00 2.01 0.00 0.00 34.83 35.26 3khz s MET 217 CO -0.08 0.39 0.94 0.08 -0.01 0.00 0.00 175.02 176.34 3khz s VAL 218 N -1.71 4.67 0.15 -6.03 1.01 -0.61 -4.44 120.40 113.44 3khz s VAL 218 Ca 0.20 1.56 -0.31 0.00 0.00 0.00 0.00 61.98 63.43 3khz s VAL 218 Cb -0.08 -4.27 -0.11 0.00 0.00 0.00 0.00 36.38 31.93 3khz s VAL 218 CO 0.10 -0.31 1.73 -2.84 0.00 0.00 0.00 175.10 173.78 3khz s PRO 219 N 3.24 4.15 -0.16 2.72 0.02 -1.26 -3.87 135.00 139.84 3khz s PRO 219 Ca 0.39 2.53 0.16 0.00 0.02 0.00 0.00 61.00 64.09 3khz s PRO 219 Cb -0.14 -3.35 0.57 0.00 0.02 0.00 0.00 34.50 31.60 3khz s PRO 219 CO 0.12 -0.76 1.48 -0.40 -0.33 0.00 0.00 177.00 177.11 3khz n ASP 220 N 4.84 4.16 -3.79 2.53 5.68 -1.26 -2.22 116.55 126.50 3khz n ASP 220 Ca 0.16 -2.80 -0.13 0.00 -0.50 0.00 0.00 54.79 51.52 3khz n ASP 220 Cb 0.38 -0.53 -0.12 0.00 -1.14 0.00 0.00 41.12 39.71 3khz n ASP 220 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 3khz s HIS 221 N -2.46 -0.24 -0.05 2.11 5.04 -1.26 -0.39 115.29 118.03 3khz s HIS 221 Ca 0.43 0.60 -0.07 0.00 -1.54 0.00 0.00 55.06 54.47 3khz s HIS 221 Cb 0.32 0.07 0.01 0.00 0.04 0.00 0.00 32.58 33.03 3khz s HIS 221 CO 0.13 -0.13 0.18 0.00 -2.34 0.00 0.00 174.74 172.58 3khz s ALA 222 N 0.25 -0.44 -0.02 1.58 0.00 -0.55 -3.71 121.76 118.87 3khz s ALA 222 Ca -0.01 0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.31 3khz s ALA 222 Cb -0.03 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.92 3khz s ALA 222 CO -0.01 -0.12 -0.03 -2.00 0.00 0.00 0.00 175.76 173.60 3khz s GLU 223 N -0.32 0.47 -0.08 0.00 2.12 -0.36 -1.65 118.70 118.89 3khz s GLU 223 Ca -0.04 -0.06 0.04 0.00 0.36 0.00 0.00 54.97 55.27 3khz s GLU 223 Cb -0.03 -0.53 -0.00 0.00 0.26 0.00 0.00 34.13 33.82 3khz s GLU 223 CO 0.01 -0.04 -0.22 0.00 -0.54 0.00 0.00 175.26 174.47 3khz s ALA 224 N 0.59 1.95 -0.21 6.30 0.00 0.85 -1.58 121.76 129.66 3khz s ALA 224 Ca -0.07 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 3khz s ALA 224 Cb -0.10 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.33 3khz s ALA 224 CO -0.01 0.30 -0.11 1.03 0.00 0.00 0.00 175.76 176.97 3khz s ARG 225 N 0.21 3.13 -0.07 0.00 0.52 -0.04 0.14 118.95 122.84 3khz s ARG 225 Ca -0.12 -0.77 0.03 0.00 -0.52 0.00 0.00 55.73 54.34 3khz s ARG 225 Cb -0.16 -2.84 0.01 0.00 0.52 0.00 0.00 34.95 32.48 3khz s ARG 225 CO 0.06 -0.24 -0.15 0.08 0.02 0.00 0.00 175.30 175.07 3khz s VAL 226 N 1.38 1.31 -0.29 3.52 1.01 0.40 0.12 120.40 127.84 3khz s VAL 226 Ca 0.04 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 3khz s VAL 226 Cb -0.14 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 3khz s VAL 226 CO -0.07 0.39 0.63 -0.22 0.00 0.00 0.00 175.10 175.83 3khz s LEU 227 N 0.56 4.12 -0.39 3.92 2.96 0.17 -0.15 118.68 129.87 3khz s LEU 227 Ca -0.15 0.50 -0.15 0.00 -0.22 0.00 0.00 54.13 54.11 3khz s LEU 227 Cb -0.16 -2.83 0.01 0.00 0.50 0.00 0.00 46.19 43.71 3khz s LEU 227 CO 0.05 -0.46 0.31 -0.69 -1.32 0.00 0.00 176.35 174.24 3khz s VAL 228 N 2.60 5.23 0.06 1.68 1.01 -0.99 -0.58 120.40 129.41 3khz s VAL 228 Ca 0.26 -0.46 -0.23 0.00 0.00 0.00 0.00 61.98 61.54 3khz s VAL 228 Cb -0.15 -3.89 -0.11 0.00 0.00 0.00 0.00 36.38 32.23 3khz s VAL 228 CO 0.11 -0.24 1.37 0.50 0.00 0.00 0.00 175.10 176.83 3khz h LYS 229 N 8.60 -0.60 0.00 2.72 3.64 -1.48 -3.45 116.57 126.01 3khz h LYS 229 Ca -0.28 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 3khz h LYS 229 Cb 1.13 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3khz h LYS 229 CO 0.72 -0.40 0.00 0.39 -2.27 0.00 0.00 179.45 177.89 3khz n GLU 230 N -4.42 2.57 -0.85 1.90 1.02 -1.26 -5.08 120.64 114.51 3khz n GLU 230 Ca -0.07 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.78 3khz n GLU 230 Cb 0.30 0.00 0.22 0.00 -0.02 0.00 0.00 31.44 31.94 3khz n GLU 230 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3khz s ASN 231 N -0.65 1.45 0.00 1.62 3.84 -1.26 -5.00 114.94 114.94 3khz s ASN 231 Ca 0.00 1.21 0.00 0.00 0.21 0.00 0.00 52.86 54.28 3khz s ASN 231 Cb 0.00 -1.88 0.00 0.00 -0.55 0.00 0.00 41.25 38.82 3khz s ASN 231 CO 0.00 -3.87 0.10 0.23 -2.79 0.00 0.00 177.10 170.78 3khz n MET 232 N -4.67 4.75 -0.18 0.43 2.81 -1.26 -4.70 117.12 114.31 3khz n MET 232 Ca 0.05 -0.10 -0.08 0.00 -1.81 0.00 0.00 57.70 55.76 3khz n MET 232 Cb 0.57 -0.57 0.06 0.00 -0.71 0.00 0.00 33.22 32.57 3khz n MET 232 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3khz h THR 233 N 0.02 1.26 -0.28 2.03 1.35 -1.99 -2.57 112.91 112.73 3khz h THR 233 Ca 0.00 -1.15 -0.00 0.00 -0.55 0.00 0.00 66.41 64.71 3khz h THR 233 Cb 0.01 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 3khz h THR 233 CO 0.00 0.41 0.17 0.44 -0.25 0.00 0.00 175.52 176.29 3khz h ASP 234 N 0.91 0.33 -0.65 5.36 3.32 -1.99 -0.59 116.42 123.11 3khz h ASP 234 Ca 0.16 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 3khz h ASP 234 Cb 0.56 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 3khz h ASP 234 CO 0.03 0.29 0.08 -0.37 -1.72 0.00 0.00 179.24 177.55 3khz h VAL 235 N 0.35 1.26 0.07 -1.35 -1.51 -1.83 -0.08 116.25 113.16 3khz h VAL 235 Ca 0.10 -1.07 -0.00 0.00 -1.23 0.00 0.00 66.70 64.50 3khz h VAL 235 Cb 0.02 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 29.85 3khz h VAL 235 CO -0.02 0.40 -0.03 0.40 -1.23 0.00 0.00 177.57 177.09 3khz h ILE 236 N 1.02 1.10 -0.49 7.19 2.04 -1.36 -0.56 117.51 126.45 3khz h ILE 236 Ca 0.20 -0.59 0.08 0.00 1.00 0.00 0.00 64.86 65.55 3khz h ILE 236 Cb 0.47 1.49 -0.07 0.00 -0.74 0.00 0.00 36.82 37.97 3khz h ILE 236 CO 0.02 0.15 0.09 -0.61 0.00 0.00 0.00 178.15 177.79 3khz h GLN 237 N -0.36 0.22 -0.25 2.37 5.75 -1.05 -1.89 115.11 119.91 3khz h GLN 237 Ca -0.01 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.41 3khz h GLN 237 Cb 0.31 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 3khz h GLN 237 CO 0.02 0.14 -0.16 -0.44 -2.65 0.00 0.00 178.83 175.74 3khz h ASP 238 N 0.22 0.41 -0.40 -0.69 3.32 -0.85 -2.15 116.42 116.27 3khz h ASP 238 Ca 0.25 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 3khz h ASP 238 Cb 0.33 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3khz h ASP 238 CO -0.33 0.60 0.05 0.15 -1.72 0.00 0.00 179.24 177.98 3khz h PHE 239 N 0.39 0.72 -0.57 4.55 3.57 -0.57 0.14 116.94 125.18 3khz h PHE 239 Ca 0.07 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 3khz h PHE 239 Cb 0.51 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 3khz h PHE 239 CO 0.01 0.72 0.26 0.93 -2.23 0.00 0.00 178.31 178.01 3khz h GLU 240 N 0.52 0.82 -0.37 1.11 5.08 -1.10 0.91 114.58 121.55 3khz h GLU 240 Ca 0.12 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3khz h GLU 240 Cb 0.40 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3khz h GLU 240 CO 0.01 0.68 0.23 -0.92 -1.00 0.00 0.00 179.01 178.01 3khz h TYR 241 N 0.77 0.43 -0.54 4.33 3.20 -1.09 -1.12 116.97 122.95 3khz h TYR 241 Ca 0.19 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.11 3khz h TYR 241 Cb 0.14 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 3khz h TYR 241 CO -0.00 0.26 0.31 0.35 -1.64 0.00 0.00 178.16 177.45 3khz h PHE 242 N 0.47 0.58 -0.55 -3.82 3.57 -0.24 0.10 116.94 117.05 3khz h PHE 242 Ca 0.14 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.72 3khz h PHE 242 Cb -0.02 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.48 3khz h PHE 242 CO -0.06 0.32 0.24 -0.07 -2.23 0.00 0.00 178.31 176.51 3khz h LEU 243 N 0.61 0.30 -0.34 0.59 3.38 -0.20 -1.83 115.31 117.83 3khz h LEU 243 Ca 0.22 0.05 -0.20 0.00 0.09 0.00 0.00 57.88 58.05 3khz h LEU 243 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3khz h LEU 243 CO -0.12 0.20 -0.77 1.05 0.09 0.00 0.00 178.44 178.90 3khz h GLU 244 N 0.46 0.45 -0.12 1.13 4.11 -0.67 0.22 114.58 120.17 3khz h GLU 244 Ca 0.26 -0.39 -0.00 0.00 0.07 0.00 0.00 59.36 59.30 3khz h GLU 244 Cb 0.23 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3khz h GLU 244 CO -0.22 1.03 0.06 1.96 0.07 0.00 0.00 179.01 181.91 3khz h GLN 245 N 0.30 0.15 -0.50 1.06 1.08 -0.73 -2.31 115.11 114.16 3khz h GLN 245 Ca -0.04 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3khz h GLN 245 Cb 1.36 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.76 3khz h GLN 245 CO 0.14 0.12 0.00 0.09 -0.95 0.00 0.00 178.83 178.22 3khz n ASN 246 N -4.50 3.41 -3.47 1.46 4.13 -0.71 -4.97 115.26 110.60 3khz n ASN 246 Ca -0.01 -1.97 -0.18 0.00 1.68 0.00 0.00 54.58 54.10 3khz n ASN 246 Cb 0.09 -0.33 0.07 0.00 -1.54 0.00 0.00 39.78 38.08 3khz n ASN 246 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3khz n HIS 247 N 1.20 -2.16 -4.68 3.10 8.25 -0.66 -4.98 115.22 115.29 3khz n HIS 247 Ca 0.18 0.89 -0.26 0.00 -0.26 0.00 0.00 57.72 58.27 3khz n HIS 247 Cb 0.54 -4.75 -0.14 0.00 1.12 0.00 0.00 29.99 26.76 3khz n HIS 247 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3khz s LEU 248 N -6.29 2.17 0.10 2.41 1.02 -0.02 -5.04 118.68 113.03 3khz s LEU 248 Ca 0.08 -0.55 -0.23 0.00 0.02 0.00 0.00 54.13 53.45 3khz s LEU 248 Cb -0.01 -1.04 -0.07 0.00 0.02 0.00 0.00 46.19 45.09 3khz s LEU 248 CO 0.75 0.18 0.71 -1.10 0.02 0.00 0.00 176.35 176.91 3khz s GLN 249 N -1.23 4.44 0.08 1.70 -1.52 -1.26 -4.57 119.66 117.29 3khz s GLN 249 Ca 0.08 0.99 -0.13 0.00 -1.95 0.00 0.00 55.36 54.36 3khz s GLN 249 Cb -0.09 -3.29 0.04 0.00 -0.22 0.00 0.00 33.01 29.46 3khz s GLN 249 CO 0.02 0.50 0.61 0.41 -0.25 0.00 0.00 175.29 176.58 3khz n GLY 250 N 1.89 0.80 3.56 3.09 0.00 -1.26 -0.77 105.19 112.50 3khz n GLY 250 Ca -0.06 -1.03 -0.06 0.00 0.00 0.00 0.00 46.02 44.87 3khz n GLY 250 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3khz s ASP 251 N -2.42 -0.24 -0.00 1.61 -1.08 0.13 -4.97 116.67 109.70 3khz s ASP 251 Ca 0.14 0.01 0.05 0.00 -0.52 0.00 0.00 52.55 52.23 3khz s ASP 251 Cb -0.01 0.25 -0.01 0.00 -1.46 0.00 0.00 42.92 41.68 3khz s ASP 251 CO 0.02 -0.40 -0.15 -0.94 0.52 0.00 0.00 175.17 174.22 3khz s SER 252 N -2.27 1.78 -0.02 -0.34 1.04 -1.26 -1.06 113.70 111.58 3khz s SER 252 Ca 0.07 -0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.23 3khz s SER 252 Cb -0.01 -0.19 -0.00 0.00 0.10 0.00 0.00 66.02 65.92 3khz s SER 252 CO -0.06 0.17 -0.10 -0.89 0.98 0.00 0.00 173.24 173.34 3khz s THR 253 N -0.42 0.81 0.12 2.02 2.01 -0.40 -4.98 115.64 114.81 3khz s THR 253 Ca 0.05 -0.41 0.10 0.00 0.31 0.00 0.00 61.69 61.74 3khz s THR 253 Cb -0.06 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 3khz s THR 253 CO -0.00 0.24 -0.21 0.54 -0.69 0.00 0.00 174.62 174.50 3khz s VAL 254 N -0.05 2.67 -0.29 3.82 0.11 -1.26 0.36 120.40 125.76 3khz s VAL 254 Ca 0.01 -1.59 -0.15 0.00 -2.93 0.00 0.00 61.98 57.32 3khz s VAL 254 Cb -0.06 -2.22 0.11 0.00 -1.53 0.00 0.00 36.38 32.68 3khz s VAL 254 CO -0.00 0.09 0.75 -0.62 -3.33 0.00 0.00 175.10 171.98 3khz s ASP 255 N -2.15 -0.90 -1.48 3.54 -1.08 -0.56 -4.99 116.67 109.05 3khz s ASP 255 Ca 0.17 1.37 0.00 0.00 -0.52 0.00 0.00 52.55 53.57 3khz s ASP 255 Cb -0.10 1.56 0.00 0.00 -1.46 0.00 0.00 42.92 42.92 3khz s ASP 255 CO 0.09 -0.21 0.00 -0.24 0.52 0.00 0.00 175.17 175.33 3khz n SER 256 N 4.49 -4.68 0.00 -0.34 2.88 -1.26 -1.31 113.62 113.39 3khz n SER 256 Ca -0.17 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 3khz n SER 256 Cb 0.56 -4.02 0.00 0.00 -0.75 0.00 0.00 64.21 60.01 3khz n SER 256 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3khz n GLY 257 N -0.74 0.70 3.65 0.46 0.00 -1.26 -5.04 105.19 102.96 3khz n GLY 257 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 3khz n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khz s ILE 258 N -2.06 5.26 -0.14 -0.61 1.09 -0.43 -2.35 121.20 121.96 3khz s ILE 258 Ca 0.00 0.44 -0.14 0.00 -1.10 0.00 0.00 60.65 59.86 3khz s ILE 258 Cb 0.00 -3.62 -0.05 0.00 -1.06 0.00 0.00 42.46 37.73 3khz s ILE 258 CO 0.00 0.27 0.30 -0.22 -0.10 0.00 0.00 174.94 175.19 3khz s LEU 259 N 1.40 4.28 -0.26 2.97 2.96 0.78 -1.50 118.68 129.32 3khz s LEU 259 Ca 0.13 0.57 -0.06 0.00 -0.22 0.00 0.00 54.13 54.55 3khz s LEU 259 Cb -0.15 -2.39 -0.01 0.00 0.50 0.00 0.00 46.19 44.15 3khz s LEU 259 CO 0.07 0.14 0.04 -0.69 -1.32 0.00 0.00 176.35 174.59 3khz s VAL 260 N 0.19 3.84 -0.15 1.68 1.01 0.16 -0.46 120.40 126.68 3khz s VAL 260 Ca 0.18 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 3khz s VAL 260 Cb -0.13 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 3khz s VAL 260 CO 0.05 0.26 -0.03 -0.76 0.00 0.00 0.00 175.10 174.62 3khz s LEU 261 N 1.52 3.29 -0.07 3.92 1.43 0.12 -1.27 118.68 127.62 3khz s LEU 261 Ca 0.05 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 3khz s LEU 261 Cb -0.16 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.28 3khz s LEU 261 CO 0.01 0.19 -0.16 -0.89 0.23 0.00 0.00 176.35 175.73 3khz s THR 262 N 0.22 1.40 -0.08 5.49 2.01 -0.22 -0.11 115.64 124.35 3khz s THR 262 Ca -0.02 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.36 3khz s THR 262 Cb -0.14 -1.24 0.01 0.00 0.01 0.00 0.00 72.50 71.14 3khz s THR 262 CO 0.03 0.41 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.55 3khz s VAL 263 N 0.50 1.23 0.13 3.82 1.01 -0.66 0.22 120.40 126.66 3khz s VAL 263 Ca -0.14 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 3khz s VAL 263 Cb -0.16 -1.13 -0.07 0.00 0.00 0.00 0.00 36.38 35.02 3khz s VAL 263 CO 0.05 0.38 0.52 -1.61 0.00 0.00 0.00 175.10 174.44 3khz s GLU 264 N 0.82 3.94 0.00 2.72 0.41 0.05 -1.48 118.70 125.16 3khz s GLU 264 Ca -0.11 0.43 0.00 0.00 -0.41 0.00 0.00 54.97 54.88 3khz s GLU 264 Cb -0.15 -2.96 0.00 0.00 -1.78 0.00 0.00 34.13 29.24 3khz s GLU 264 CO 0.02 0.50 0.00 0.41 -0.49 0.00 0.00 175.26 175.70 3khz n GLY 265 N 0.86 3.12 2.89 -1.39 0.00 0.47 -4.35 105.19 106.79 3khz n GLY 265 Ca -0.06 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 3khz n GLY 265 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3khz s LYS 266 N 4.32 0.37 0.48 1.61 2.20 -0.84 -4.88 119.74 123.00 3khz s LYS 266 Ca 0.00 0.29 -0.22 0.00 -0.36 0.00 0.00 55.97 55.68 3khz s LYS 266 Cb 0.00 -0.45 -0.07 0.00 -1.51 0.00 0.00 37.83 35.80 3khz s LYS 266 CO 0.00 -0.84 1.16 0.00 -0.36 0.00 0.00 175.35 175.32 3khz s ALA 267 N 2.52 2.92 -0.02 3.13 0.00 -1.25 -2.30 121.76 126.76 3khz s ALA 267 Ca 0.11 0.93 -0.29 0.00 0.00 0.00 0.00 51.96 52.71 3khz s ALA 267 Cb -0.14 -3.38 0.10 0.00 0.00 0.00 0.00 23.12 19.70 3khz s ALA 267 CO -0.23 -0.70 0.88 0.08 0.00 0.00 0.00 175.76 175.79 3khz s VAL 268 N -1.58 0.00 0.42 0.00 1.01 -1.25 -4.94 120.40 114.06 3khz s VAL 268 Ca 0.65 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 62.38 3khz s VAL 268 Cb -0.28 -1.00 -0.08 0.00 0.00 0.00 0.00 36.38 35.02 3khz s VAL 268 CO 0.34 0.00 1.25 -1.38 0.00 0.00 0.00 175.10 175.30 3khz s HIS 269 N -2.72 2.86 -1.10 5.22 -3.43 -1.26 -1.57 115.29 113.28 3khz s HIS 269 Ca 0.03 1.47 0.10 0.00 -0.80 0.00 0.00 55.06 55.85 3khz s HIS 269 Cb -0.01 -3.55 0.43 0.00 -1.43 0.00 0.00 32.58 28.02 3khz s HIS 269 CO -0.07 -1.83 1.28 0.41 -2.00 0.00 0.00 174.74 172.54 3khz n GLY 270 N 0.63 -0.78 0.00 -1.38 0.00 0.13 -2.62 105.19 101.17 3khz n GLY 270 Ca 0.05 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.17 3khz n GLY 270 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3khz n MET 271 N -1.45 0.56 -3.15 1.61 0.00 -1.26 -4.02 117.12 109.41 3khz n MET 271 Ca 0.03 0.02 0.04 0.00 -0.00 0.00 0.00 57.70 57.79 3khz n MET 271 Cb 0.10 -1.50 -0.00 0.00 0.00 0.00 0.00 33.22 31.82 3khz n MET 271 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3khz s ASP 272 N -2.36 -1.37 -0.03 6.12 2.15 -1.08 -5.00 116.67 115.11 3khz s ASP 272 Ca 0.31 0.09 0.08 0.00 0.43 0.00 0.00 52.55 53.47 3khz s ASP 272 Cb 0.18 1.85 -0.24 0.00 -0.30 0.00 0.00 42.92 44.42 3khz s ASP 272 CO 0.37 -0.24 0.72 1.55 -0.17 0.00 0.00 175.17 177.40 3khz h PRO 273 N 7.75 0.05 -1.30 4.34 0.13 -1.70 -3.37 132.00 137.90 3khz h PRO 273 Ca -0.02 -0.09 0.38 0.00 -0.87 0.00 0.00 66.00 65.40 3khz h PRO 273 Cb 1.19 0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 3khz h PRO 273 CO 0.09 0.69 1.25 0.66 -0.23 0.00 0.00 178.00 180.46 3khz h SER 274 N 0.01 0.00 1.72 1.44 4.64 -1.93 0.76 113.55 120.19 3khz h SER 274 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3khz h SER 274 Cb 1.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.08 3khz h SER 274 CO 0.09 0.00 -0.00 0.40 -0.87 0.00 0.00 176.83 176.45 3khz h ILE 275 N 0.00 0.00 -4.46 0.95 1.08 -1.95 -3.46 117.51 109.66 3khz h ILE 275 Ca 0.62 -0.73 -0.23 0.00 -0.39 0.00 0.00 64.86 64.13 3khz h ILE 275 Cb 3.11 1.73 -0.04 0.00 -3.07 0.00 0.00 36.82 38.55 3khz h ILE 275 CO -0.01 0.00 -0.15 0.61 -0.69 0.00 0.00 178.15 177.91 3khz n GLY 276 N 1.21 3.67 2.89 5.37 0.00 0.26 -5.00 105.19 113.59 3khz n GLY 276 Ca 0.05 -2.25 -0.27 0.00 0.00 0.00 0.00 46.02 43.55 3khz n GLY 276 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khz s VAL 277 N -1.45 1.00 -0.84 1.61 1.01 -0.97 -4.94 120.40 115.82 3khz s VAL 277 Ca 0.03 -0.31 -0.24 0.00 0.00 0.00 0.00 61.98 61.46 3khz s VAL 277 Cb -0.00 -1.05 0.05 0.00 0.00 0.00 0.00 36.38 35.38 3khz s VAL 277 CO 0.02 0.33 1.28 0.21 0.00 0.00 0.00 175.10 176.94 3khz s ASN 278 N 1.71 6.32 0.26 3.32 3.84 -1.26 -1.98 114.94 127.15 3khz s ASN 278 Ca 0.04 -1.00 -0.03 0.00 0.21 0.00 0.00 52.86 52.09 3khz s ASN 278 Cb -0.13 -2.53 0.56 0.00 -0.55 0.00 0.00 41.25 38.60 3khz s ASN 278 CO -0.08 -1.61 1.65 0.00 -2.79 0.00 0.00 177.10 174.27 3khz h ALA 279 N 9.79 1.02 -0.71 1.71 0.00 -1.74 -0.36 119.26 128.96 3khz h ALA 279 Ca -0.08 0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3khz h ALA 279 Cb 1.04 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 3khz h ALA 279 CO 1.30 -0.42 0.27 0.78 0.00 0.00 0.00 179.25 181.18 3khz h GLY 280 N 0.18 1.16 1.34 0.00 0.00 -1.79 -0.85 103.07 103.11 3khz h GLY 280 Ca 0.47 -0.65 -0.20 0.00 0.00 0.00 0.00 47.33 46.95 3khz h GLY 280 CO -0.64 0.61 -0.73 1.41 0.00 0.00 0.00 176.54 177.19 3khz h LEU 281 N 1.03 0.76 -0.37 3.11 3.38 -1.51 -2.11 115.31 119.60 3khz h LEU 281 Ca 0.24 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3khz h LEU 281 Cb 0.24 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3khz h LEU 281 CO -0.02 1.26 0.19 1.88 0.09 0.00 0.00 178.44 181.84 3khz h TYR 282 N 0.45 0.51 -0.61 1.13 0.05 -0.95 0.23 116.97 117.78 3khz h TYR 282 Ca -0.04 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.75 3khz h TYR 282 Cb 1.33 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 38.87 3khz h TYR 282 CO 0.07 0.42 0.39 1.25 -1.05 0.00 0.00 178.16 179.23 3khz h LEU 283 N 0.46 0.65 -1.27 3.88 5.85 -1.10 -1.26 115.31 122.52 3khz h LEU 283 Ca 0.13 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3khz h LEU 283 Cb 0.08 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3khz h LEU 283 CO -0.02 0.46 0.20 -0.07 -0.34 0.00 0.00 178.44 178.67 3khz h LEU 284 N 0.78 0.64 -0.60 2.25 3.38 -1.09 -1.85 115.31 118.82 3khz h LEU 284 Ca 0.24 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.16 3khz h LEU 284 Cb -0.02 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3khz h LEU 284 CO -0.08 0.57 0.37 0.50 0.09 0.00 0.00 178.44 179.89 3khz h LYS 285 N 0.70 0.71 -0.42 1.13 1.63 0.15 -2.33 116.57 118.14 3khz h LYS 285 Ca 0.17 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 59.84 3khz h LYS 285 Cb 0.13 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 3khz h LYS 285 CO -0.02 0.47 -0.07 0.35 -3.45 0.00 0.00 179.45 176.74 3khz h PHE 286 N 0.73 0.88 -0.11 1.91 3.04 -0.81 -2.87 116.94 119.71 3khz h PHE 286 Ca 0.24 -0.18 0.03 0.00 3.98 0.00 0.00 57.97 62.04 3khz h PHE 286 Cb 0.01 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 38.29 3khz h PHE 286 CO -0.05 0.89 0.16 -0.07 -2.02 0.00 0.00 178.31 177.22 3khz h LEU 287 N 0.62 0.00 -2.26 0.59 3.38 -0.97 -1.70 115.31 114.97 3khz h LEU 287 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3khz h LEU 287 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3khz h LEU 287 CO 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 178.52 3khz h ALA 288 N 1.78 1.49 -0.00 1.53 0.00 -1.19 -0.87 119.26 122.00 3khz h ALA 288 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3khz h ALA 288 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3khz h ALA 288 CO -0.00 0.05 -0.03 -1.13 0.00 0.00 0.00 179.25 178.14 3khz n SER 289 N -3.85 0.23 -4.85 0.00 3.41 -0.64 -4.89 113.62 103.03 3khz n SER 289 Ca -0.03 -0.66 -0.24 0.00 -0.26 0.00 0.00 58.87 57.68 3khz n SER 289 Cb 0.13 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 3khz n SER 289 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3khz s LEU 290 N -2.30 3.96 -0.53 1.04 1.43 -0.33 -5.05 118.68 116.90 3khz s LEU 290 Ca 0.36 -0.09 -0.28 0.00 -1.03 0.00 0.00 54.13 53.09 3khz s LEU 290 Cb 0.21 -2.53 0.03 0.00 0.03 0.00 0.00 46.19 43.92 3khz s LEU 290 CO 0.42 0.02 1.22 0.20 0.23 0.00 0.00 176.35 178.45 3khz s ASN 291 N -3.43 6.45 0.33 2.29 0.02 -1.26 -5.02 114.94 114.32 3khz s ASN 291 Ca 0.32 0.30 0.08 0.00 -1.02 0.00 0.00 52.86 52.54 3khz s ASN 291 Cb -0.09 -2.55 -0.04 0.00 0.02 0.00 0.00 41.25 38.59 3khz s ASN 291 CO 0.25 -1.44 0.18 -0.76 0.02 0.00 0.00 177.10 175.36 3khz s LEU 292 N 4.99 3.40 0.77 0.60 1.43 -1.26 -1.83 118.68 126.78 3khz s LEU 292 Ca 0.47 -0.64 -0.15 0.00 -1.03 0.00 0.00 54.13 52.78 3khz s LEU 292 Cb -0.08 -1.93 0.04 0.00 0.03 0.00 0.00 46.19 44.25 3khz s LEU 292 CO 0.28 -0.28 1.03 -0.90 0.23 0.00 0.00 176.35 176.71 3khz n ASP 293 N -1.21 0.56 -0.07 2.29 5.75 -0.87 -4.73 116.55 118.28 3khz n ASP 293 Ca -0.03 0.62 -0.12 0.00 -0.01 0.00 0.00 54.79 55.25 3khz n ASP 293 Cb 0.60 -1.44 -0.06 0.00 -1.03 0.00 0.00 41.12 39.19 3khz n ASP 293 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 3khz h ASN 294 N -0.59 -1.46 -0.82 -1.12 -0.26 -1.95 -0.91 115.58 108.47 3khz h ASN 294 Ca -0.47 0.20 -0.03 0.00 -0.56 0.00 0.00 56.30 55.44 3khz h ASN 294 Cb 1.32 0.61 -0.04 0.00 -1.06 0.00 0.00 38.32 39.15 3khz h ASN 294 CO 0.46 -0.41 0.38 0.78 -1.06 0.00 0.00 177.43 177.58 3khz h ASN 295 N -0.43 1.09 -0.06 5.81 -0.26 -1.92 -0.45 115.58 119.36 3khz h ASN 295 Ca 0.10 -0.14 -0.09 0.00 -0.56 0.00 0.00 56.30 55.60 3khz h ASN 295 Cb 0.61 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.58 3khz h ASN 295 CO -0.49 0.93 -0.24 0.00 -1.06 0.00 0.00 177.43 176.56 3khz h ALA 296 N 1.20 1.11 -0.18 -0.83 0.00 -1.85 -2.21 119.26 116.49 3khz h ALA 296 Ca 0.28 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3khz h ALA 296 Cb 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3khz h ALA 296 CO -0.03 0.55 -0.38 0.37 0.00 0.00 0.00 179.25 179.76 3khz h GLN 297 N 0.43 0.58 -0.65 0.00 4.15 -0.51 0.10 115.11 119.23 3khz h GLN 297 Ca 0.06 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 59.10 3khz h GLN 297 Cb 0.65 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.36 3khz h GLN 297 CO 0.05 0.99 0.40 0.00 -1.93 0.00 0.00 178.83 178.35 3khz h ALA 298 N 0.59 1.50 0.01 3.38 0.00 -1.02 0.44 119.26 124.15 3khz h ALA 298 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3khz h ALA 298 Cb 0.98 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3khz h ALA 298 CO 0.08 0.45 -0.01 0.35 0.00 0.00 0.00 179.25 180.13 3khz h PHE 299 N 0.88 -0.02 -0.53 0.00 3.04 -1.24 -0.09 116.94 118.98 3khz h PHE 299 Ca 0.23 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.23 3khz h PHE 299 Cb -0.06 0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.41 3khz h PHE 299 CO 0.00 0.40 0.29 0.28 -2.02 0.00 0.00 178.31 177.26 3khz h VAL 300 N -0.43 0.98 -0.95 1.41 2.07 -0.90 -2.45 116.25 115.98 3khz h VAL 300 Ca -0.00 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.36 3khz h VAL 300 Cb 0.42 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 3khz h VAL 300 CO 0.00 0.10 0.62 0.00 0.02 0.00 0.00 177.57 178.32 3khz h ALA 301 N 1.27 1.39 -0.22 1.67 0.00 -0.74 -2.22 119.26 120.42 3khz h ALA 301 Ca 0.23 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3khz h ALA 301 Cb 0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3khz h ALA 301 CO -0.15 0.51 -0.05 0.35 0.00 0.00 0.00 179.25 179.92 3khz h PHE 302 N 1.19 0.48 -0.85 0.00 3.57 -0.72 -1.27 116.94 119.34 3khz h PHE 302 Ca 0.38 -0.10 0.12 0.00 3.53 0.00 0.00 57.97 61.90 3khz h PHE 302 Cb 0.02 -0.12 -0.09 0.00 2.79 0.00 0.00 35.95 38.55 3khz h PHE 302 CO -0.00 0.66 0.46 1.03 -2.23 0.00 0.00 178.31 178.23 3khz h SER 303 N 0.16 0.61 0.44 0.41 0.87 -1.01 -2.04 113.55 113.00 3khz h SER 303 Ca 0.06 0.07 -0.14 0.00 -1.23 0.00 0.00 61.79 60.54 3khz h SER 303 Cb 0.50 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 3khz h SER 303 CO 0.02 0.30 -0.62 0.78 -0.53 0.00 0.00 176.83 176.79 3khz h ASN 304 N 0.71 0.19 0.09 6.23 2.35 -0.90 0.50 115.58 124.76 3khz h ASN 304 Ca 0.44 -0.11 -0.29 0.00 -0.55 0.00 0.00 56.30 55.79 3khz h ASN 304 Cb 0.53 -0.06 0.03 0.00 0.05 0.00 0.00 38.32 38.87 3khz h ASN 304 CO -0.31 0.76 -1.19 -0.09 -1.65 0.00 0.00 177.43 174.95 3khz h ARG 305 N 0.12 0.64 0.00 0.81 2.43 -0.86 -3.39 114.38 114.14 3khz h ARG 305 Ca -0.01 -0.82 -0.02 0.00 -0.81 0.00 0.00 59.98 58.33 3khz h ARG 305 Cb 1.12 0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 30.93 3khz h ARG 305 CO 0.09 1.37 -1.51 0.66 -1.51 0.00 0.00 179.97 179.07 3khz n TYR 306 N -3.82 0.00 -0.03 2.20 4.01 -0.80 -4.85 117.16 113.87 3khz n TYR 306 Ca -0.13 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.56 3khz n TYR 306 Cb 0.96 -0.27 -0.02 0.00 -0.31 0.00 0.00 39.34 39.70 3khz n TYR 306 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3khz n LEU 307 N -1.92 1.15 -4.71 7.72 4.32 0.14 -4.28 117.00 119.42 3khz n LEU 307 Ca -0.03 0.04 -0.42 0.00 -0.02 0.00 0.00 56.01 55.58 3khz n LEU 307 Cb 0.33 -0.17 -0.03 0.00 -1.62 0.00 0.00 43.42 41.94 3khz n LEU 307 CO 0.22 0.25 1.37 0.12 -1.22 0.00 0.00 177.39 178.14 3khz s PHE 308 N -2.10 2.72 -1.00 -1.77 5.36 0.63 -2.91 117.98 118.91 3khz s PHE 308 Ca -0.07 0.30 -0.03 0.00 -0.96 0.00 0.00 56.93 56.16 3khz s PHE 308 Cb 0.03 -4.11 0.00 0.00 -0.34 0.00 0.00 43.02 38.60 3khz s PHE 308 CO 0.10 -4.30 0.85 -1.71 -1.46 0.00 0.00 175.22 168.71 3khz n ASN 309 N 4.47 -3.62 -3.04 6.13 2.85 -1.26 -4.94 115.26 115.85 3khz n ASN 309 Ca 0.16 -0.46 -0.16 0.00 -0.11 0.00 0.00 54.58 54.01 3khz n ASN 309 Cb 0.37 -4.09 -0.00 0.00 1.24 0.00 0.00 39.78 37.29 3khz n ASN 309 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 3khz n SER 310 N -2.38 -0.44 0.28 1.20 2.88 -1.15 -4.93 113.62 109.09 3khz n SER 310 Ca -0.12 -3.12 0.17 0.00 -1.33 0.00 0.00 58.87 54.47 3khz n SER 310 Cb 0.59 0.21 0.76 0.00 -0.75 0.00 0.00 64.21 65.03 3khz n SER 310 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3khz h ASP 311 N 3.35 0.00 -0.30 -3.46 3.32 -1.85 -3.20 116.42 114.28 3khz h ASP 311 Ca 0.02 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.92 3khz h ASP 311 Cb 0.98 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.45 3khz h ASP 311 CO 0.39 0.03 -0.13 0.49 -1.72 0.00 0.00 179.24 178.31 3khz n PHE 312 N -3.17 0.94 -0.97 4.55 3.72 -1.26 -0.68 117.46 120.59 3khz n PHE 312 Ca -0.00 -1.55 0.00 0.00 -0.05 0.00 0.00 57.45 55.85 3khz n PHE 312 Cb 0.27 -0.45 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 3khz n PHE 312 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3khz n GLY 313 N -1.10 0.35 0.11 1.37 0.00 -1.21 -3.61 105.19 101.11 3khz n GLY 313 Ca 0.31 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 3khz n GLY 313 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3khz h GLU 314 N 0.80 -0.17 0.00 1.61 5.08 -1.86 0.30 114.58 120.33 3khz h GLU 314 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3khz h GLU 314 Cb 0.33 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3khz h GLU 314 CO 0.00 -0.09 0.00 1.63 -1.00 0.00 0.00 179.01 179.55 3khz n LYS 315 N -5.16 0.50 0.00 2.33 5.02 -1.26 -1.88 118.16 117.71 3khz n LYS 315 Ca -0.08 0.04 0.10 0.00 -2.02 0.00 0.00 58.31 56.34 3khz n LYS 315 Cb 0.11 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.69 3khz n LYS 315 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3khz n MET 316 N -1.17 1.67 -0.65 1.97 2.81 -0.41 -4.63 117.12 116.70 3khz n MET 316 Ca 0.14 -1.59 0.00 0.00 -1.81 0.00 0.00 57.70 54.44 3khz n MET 316 Cb 0.14 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 3khz n MET 316 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3khz n GLY 317 N 1.10 0.61 0.24 3.03 0.00 -0.79 -4.76 105.19 104.62 3khz n GLY 317 Ca 0.11 -0.70 0.07 0.00 0.00 0.00 0.00 46.02 45.50 3khz n GLY 317 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3khz n MET 318 N -2.60 0.96 -1.87 1.61 2.81 0.92 -5.01 117.12 113.94 3khz n MET 318 Ca 0.00 -2.23 -0.42 0.00 -1.81 0.00 0.00 57.70 53.25 3khz n MET 318 Cb 0.01 -1.23 -0.02 0.00 -0.71 0.00 0.00 33.22 31.27 3khz n MET 318 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 3khz s LYS 319 N -2.14 4.18 -0.25 0.03 2.20 -1.20 -4.68 119.74 117.88 3khz s LYS 319 Ca 0.25 2.47 -0.10 0.00 -0.36 0.00 0.00 55.97 58.22 3khz s LYS 319 Cb 0.22 -3.07 0.10 0.00 -1.51 0.00 0.00 37.83 33.57 3khz s LYS 319 CO 0.01 -0.57 0.55 0.12 -0.36 0.00 0.00 175.35 175.10 3khz s PHE 320 N 0.26 -1.03 -0.08 4.03 2.19 -1.26 -4.99 117.98 117.10 3khz s PHE 320 Ca 0.64 1.91 0.01 0.00 0.33 0.00 0.00 56.93 59.82 3khz s PHE 320 Cb -0.46 0.55 -0.03 0.00 -1.31 0.00 0.00 43.02 41.78 3khz s PHE 320 CO 0.43 -0.54 -0.10 -1.58 1.83 0.00 0.00 175.22 175.25 3khz s HIS 321 N 2.41 2.84 -0.05 10.12 5.65 -1.26 -1.46 115.29 133.54 3khz s HIS 321 Ca -0.06 -0.18 0.07 0.00 0.25 0.00 0.00 55.06 55.14 3khz s HIS 321 Cb -0.10 -1.73 -0.01 0.00 -1.18 0.00 0.00 32.58 29.56 3khz s HIS 321 CO -0.16 0.16 -0.25 0.99 -0.65 0.00 0.00 174.74 174.82 3khz s THR 322 N -0.48 2.08 0.51 0.89 2.01 -0.43 -5.01 115.64 115.21 3khz s THR 322 Ca 0.07 -1.07 0.27 0.00 0.31 0.00 0.00 61.69 61.26 3khz s THR 322 Cb -0.12 -1.74 0.44 0.00 0.01 0.00 0.00 72.50 71.09 3khz s THR 322 CO 0.02 0.57 1.90 -0.78 -0.69 0.00 0.00 174.62 175.65 3khz h ASP 323 N 5.90 0.11 0.00 3.53 -0.00 -1.99 -3.27 116.42 120.70 3khz h ASP 323 Ca -0.35 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 56.69 3khz h ASP 323 Cb 1.16 -0.01 0.00 0.00 -0.00 0.00 0.00 39.33 40.48 3khz h ASP 323 CO 0.47 0.04 -0.11 1.33 -0.00 0.00 0.00 179.24 180.97 3khz n VAL 324 N -4.35 0.00 1.57 2.25 0.24 -1.26 -4.90 118.33 111.88 3khz n VAL 324 Ca 0.17 0.00 0.15 0.00 -2.04 0.00 0.00 64.34 62.62 3khz n VAL 324 Cb 0.82 -0.09 0.80 0.00 -1.47 0.00 0.00 33.84 33.90 3khz n VAL 324 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 3khz n MET 325 N -1.07 0.60 0.00 7.34 2.81 -1.24 -5.01 117.12 120.55 3khz n MET 325 Ca 0.00 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 3khz n MET 325 Cb 0.06 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 3khz n MET 325 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3khz n GLY 326 N 1.12 -1.61 3.50 3.03 0.00 -1.23 -4.76 105.19 105.24 3khz n GLY 326 Ca 0.17 -2.07 -0.24 0.00 0.00 0.00 0.00 46.02 43.88 3khz n GLY 326 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3khz s ASP 327 N -4.00 3.78 0.29 1.61 1.01 -1.26 -1.31 116.67 116.79 3khz s ASP 327 Ca 0.00 -0.90 -0.30 0.00 0.71 0.00 0.00 52.55 52.06 3khz s ASP 327 Cb 0.00 -0.42 -0.11 0.00 1.01 0.00 0.00 42.92 43.40 3khz s ASP 327 CO 0.00 0.05 1.48 -0.69 0.21 0.00 0.00 175.17 176.22 3khz s VAL 328 N -2.29 2.41 -0.02 -1.27 1.01 -0.54 -4.58 120.40 115.11 3khz s VAL 328 Ca 0.29 0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.65 3khz s VAL 328 Cb -0.06 -3.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 3khz s VAL 328 CO 0.15 0.06 -0.09 0.42 0.00 0.00 0.00 175.10 175.65 3khz s THR 329 N -0.26 0.75 -0.21 3.92 -4.23 0.56 -4.38 115.64 111.80 3khz s THR 329 Ca 0.59 -0.37 0.01 0.00 -1.18 0.00 0.00 61.69 60.74 3khz s THR 329 Cb -0.44 -0.65 0.04 0.00 1.34 0.00 0.00 72.50 72.79 3khz s THR 329 CO 0.48 0.23 -0.13 0.42 -0.54 0.00 0.00 174.62 175.08 3khz s THR 330 N 0.04 1.85 -0.11 3.99 -4.23 0.15 -0.26 115.64 117.06 3khz s THR 330 Ca -0.01 -1.12 -0.03 0.00 -1.18 0.00 0.00 61.69 59.35 3khz s THR 330 Cb -0.07 -1.87 -0.03 0.00 1.34 0.00 0.00 72.50 71.87 3khz s THR 330 CO 0.00 0.21 0.02 0.21 -0.54 0.00 0.00 174.62 174.53 3khz s ASN 331 N 1.31 5.39 -0.63 3.99 2.47 0.36 -4.57 114.94 123.26 3khz s ASN 331 Ca -0.01 0.15 -0.10 0.00 0.42 0.00 0.00 52.86 53.31 3khz s ASN 331 Cb -0.16 -1.64 0.16 0.00 -1.45 0.00 0.00 41.25 38.16 3khz s ASN 331 CO -0.09 0.34 0.52 -0.63 -3.72 0.00 0.00 177.10 173.52 3khz s ILE 332 N -0.63 4.70 -0.17 -5.21 -1.09 -1.26 -0.55 121.20 116.99 3khz s ILE 332 Ca 0.11 -2.21 0.17 0.00 -2.23 0.00 0.00 60.65 56.49 3khz s ILE 332 Cb -0.12 -4.01 0.01 0.00 -1.58 0.00 0.00 42.46 36.76 3khz s ILE 332 CO 0.02 -0.89 1.21 1.23 -1.23 0.00 0.00 174.94 175.28 3khz h GLY 333 N 8.01 0.00 -6.23 6.18 0.00 -1.25 -3.42 103.07 106.36 3khz h GLY 333 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.00 3khz h GLY 333 CO 0.82 0.00 -0.62 0.14 0.00 0.00 0.00 176.54 176.89 3khz s VAL 334 N -3.00 -0.05 -0.08 4.60 1.01 -1.23 -2.40 120.40 119.25 3khz s VAL 334 Ca 0.01 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.16 3khz s VAL 334 Cb 0.08 -0.21 0.03 0.00 0.00 0.00 0.00 36.38 36.28 3khz s VAL 334 CO 0.77 0.07 -0.02 -0.63 0.00 0.00 0.00 175.10 175.29 3khz s ILE 335 N 1.07 0.55 0.14 2.22 1.01 0.21 0.30 121.20 126.70 3khz s ILE 335 Ca -0.08 0.00 0.06 0.00 0.00 0.00 0.00 60.65 60.63 3khz s ILE 335 Cb -0.11 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 3khz s ILE 335 CO -0.05 0.28 -0.13 0.42 0.00 0.00 0.00 174.94 175.46 3khz s THR 336 N 1.81 1.39 -0.28 2.92 -4.23 -0.65 -1.46 115.64 115.15 3khz s THR 336 Ca 0.03 -1.89 -0.20 0.00 -1.18 0.00 0.00 61.69 58.45 3khz s THR 336 Cb -0.13 -1.71 0.09 0.00 1.34 0.00 0.00 72.50 72.10 3khz s THR 336 CO -0.05 -0.52 0.80 -0.47 -0.54 0.00 0.00 174.62 173.84 3khz s TYR 337 N -2.54 -0.80 0.19 3.99 5.04 -0.61 -0.86 117.35 121.74 3khz s TYR 337 Ca 0.13 1.76 -0.13 0.00 -2.44 0.00 0.00 57.07 56.39 3khz s TYR 337 Cb -0.03 0.43 0.01 0.00 0.35 0.00 0.00 41.96 42.72 3khz s TYR 337 CO 0.03 -0.39 0.40 0.16 -1.34 0.00 0.00 175.55 174.41 3khz s ASP 338 N 0.95 -0.09 0.15 4.32 3.84 -0.48 -1.03 116.67 124.33 3khz s ASP 338 Ca -0.04 -0.73 -0.17 0.00 -0.00 0.00 0.00 52.55 51.61 3khz s ASP 338 Cb -0.05 0.51 0.05 0.00 -1.38 0.00 0.00 42.92 42.05 3khz s ASP 338 CO -0.10 -0.98 1.75 0.78 -0.00 0.00 0.00 175.17 176.61 3khz h ASN 339 N 2.38 0.12 -0.14 2.11 -0.26 -1.85 0.13 115.58 118.07 3khz h ASN 339 Ca -0.30 0.04 -0.03 0.00 -0.56 0.00 0.00 56.30 55.45 3khz h ASN 339 Cb 1.24 0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 38.53 3khz h ASN 339 CO 0.43 0.10 -0.05 -0.33 -1.06 0.00 0.00 177.43 176.52 3khz h GLU 340 N 0.26 0.27 -0.01 0.81 5.08 -1.98 -3.31 114.58 115.71 3khz h GLU 340 Ca 0.16 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3khz h GLU 340 Cb 0.13 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3khz h GLU 340 CO -0.16 0.58 -0.50 0.09 -1.00 0.00 0.00 179.01 178.02 3khz n ASN 341 N -4.69 1.29 0.00 1.42 4.13 -1.21 -4.99 115.26 111.21 3khz n ASN 341 Ca -0.06 -1.03 0.00 0.00 1.68 0.00 0.00 54.58 55.17 3khz n ASN 341 Cb 0.27 0.42 0.00 0.00 -1.54 0.00 0.00 39.78 38.93 3khz n ASN 341 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3khz n ALA 342 N -0.70 0.00 -2.49 5.41 0.00 0.46 -4.80 120.51 118.39 3khz n ALA 342 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.27 3khz n ALA 342 Cb 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.73 3khz n ALA 342 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3khz s GLY 343 N -0.45 1.77 -0.07 0.00 0.00 -1.26 -1.39 107.32 105.92 3khz s GLY 343 Ca 0.00 -1.69 -0.06 0.00 0.00 0.00 0.00 44.72 42.98 3khz s GLY 343 CO 0.00 -1.74 0.18 -2.27 0.00 0.00 0.00 173.10 169.27 3khz s LEU 344 N -3.08 1.16 -0.15 0.66 1.98 -0.04 -1.70 118.68 117.51 3khz s LEU 344 Ca 0.26 0.36 0.01 0.00 -2.89 0.00 0.00 54.13 51.87 3khz s LEU 344 Cb -0.07 0.58 0.02 0.00 0.66 0.00 0.00 46.19 47.38 3khz s LEU 344 CO 0.14 -0.08 -0.17 -0.36 -1.89 0.00 0.00 176.35 173.98 3khz s PHE 345 N 0.34 2.41 -0.31 5.38 0.08 -0.49 -1.63 117.98 123.77 3khz s PHE 345 Ca -0.02 -1.32 -0.20 0.00 0.12 0.00 0.00 56.93 55.51 3khz s PHE 345 Cb -0.03 -1.70 -0.01 0.00 -0.57 0.00 0.00 43.02 40.70 3khz s PHE 345 CO -0.01 -0.67 0.62 0.20 -0.10 0.00 0.00 175.22 175.25 3khz s GLY 346 N 1.22 1.78 -0.11 4.36 0.00 0.15 -0.69 107.32 114.02 3khz s GLY 346 Ca 0.01 -0.68 -0.04 0.00 0.00 0.00 0.00 44.72 44.01 3khz s GLY 346 CO -0.08 1.44 0.05 -0.42 0.00 0.00 0.00 173.10 174.09 3khz s ILE 347 N 2.58 4.76 -0.24 0.90 1.09 0.98 -0.93 121.20 130.34 3khz s ILE 347 Ca 0.24 -0.07 -0.04 0.00 -1.10 0.00 0.00 60.65 59.68 3khz s ILE 347 Cb -0.15 -3.05 -0.00 0.00 -1.06 0.00 0.00 42.46 38.20 3khz s ILE 347 CO 0.12 0.59 -0.02 0.20 -0.10 0.00 0.00 174.94 175.73 3khz s ASN 348 N -0.73 4.50 -0.18 3.58 -0.87 0.29 -1.63 114.94 119.91 3khz s ASN 348 Ca 0.12 -0.50 0.01 0.00 -1.57 0.00 0.00 52.86 50.92 3khz s ASN 348 Cb -0.12 -1.77 0.01 0.00 -0.02 0.00 0.00 41.25 39.36 3khz s ASN 348 CO 0.03 -0.07 -0.19 -0.22 -2.57 0.00 0.00 177.10 174.08 3khz s LEU 349 N 1.47 2.21 -0.13 0.60 0.20 0.70 -0.48 118.68 123.26 3khz s LEU 349 Ca 0.04 -0.61 -0.02 0.00 0.69 0.00 0.00 54.13 54.23 3khz s LEU 349 Cb -0.15 -1.50 -0.03 0.00 -0.43 0.00 0.00 46.19 44.08 3khz s LEU 349 CO -0.02 0.02 -0.05 0.00 -0.29 0.00 0.00 176.35 176.01 3khz s ALA 350 N 1.20 2.98 0.02 5.97 0.00 0.63 -0.58 121.76 131.98 3khz s ALA 350 Ca 0.02 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.15 3khz s ALA 350 Cb -0.14 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 3khz s ALA 350 CO -0.09 0.32 -0.04 1.52 0.00 0.00 0.00 175.76 177.46 3khz s TYR 351 N 0.04 0.35 0.53 0.00 1.13 -0.14 -0.33 117.35 118.94 3khz s TYR 351 Ca -0.00 -0.44 -0.05 0.00 -1.41 0.00 0.00 57.07 55.17 3khz s TYR 351 Cb -0.14 -0.23 -0.01 0.00 -1.10 0.00 0.00 41.96 40.48 3khz s TYR 351 CO 0.03 -0.13 0.83 -1.25 -2.51 0.00 0.00 175.55 172.52 3khz s PRO 352 N -1.25 3.20 0.20 -3.49 0.04 -1.26 0.40 135.00 132.84 3khz s PRO 352 Ca -0.12 0.04 -0.30 0.00 0.04 0.00 0.00 61.00 60.66 3khz s PRO 352 Cb -0.08 -2.34 -0.08 0.00 0.04 0.00 0.00 34.50 32.03 3khz s PRO 352 CO -0.00 -0.45 1.16 -2.00 0.04 0.00 0.00 177.00 175.74 3khz s GLU 353 N -4.84 4.54 -0.37 4.56 2.56 -1.26 -2.13 118.70 121.75 3khz s GLU 353 Ca 0.51 1.83 0.02 0.00 0.00 0.00 0.00 54.97 57.33 3khz s GLU 353 Cb -0.10 -3.24 0.11 0.00 2.00 0.00 0.00 34.13 32.90 3khz s GLU 353 CO 0.44 0.00 0.13 0.20 -0.56 0.00 0.00 175.26 175.47 3khz s GLY 354 N -0.11 1.70 0.24 -1.50 0.00 -1.26 -5.01 107.32 101.37 3khz s GLY 354 Ca 0.50 -2.38 -0.20 0.00 0.00 0.00 0.00 44.72 42.64 3khz s GLY 354 CO 0.37 1.26 0.74 -0.12 0.00 0.00 0.00 173.10 175.36 3khz s PHE 355 N 0.86 3.63 -1.17 1.90 5.36 -0.91 -4.98 117.98 122.67 3khz s PHE 355 Ca 0.13 1.40 -0.21 0.00 -0.96 0.00 0.00 56.93 57.29 3khz s PHE 355 Cb -0.20 -2.63 0.04 0.00 -0.34 0.00 0.00 43.02 39.89 3khz s PHE 355 CO -0.11 0.31 1.66 -1.21 -1.46 0.00 0.00 175.22 174.41 3khz s GLU 356 N -2.06 3.65 0.01 10.12 2.02 -1.26 -4.91 118.70 126.28 3khz s GLU 356 Ca 0.44 -1.52 -0.19 0.00 0.02 0.00 0.00 54.97 53.72 3khz s GLU 356 Cb -0.16 -5.43 -0.11 0.00 0.10 0.00 0.00 34.13 28.53 3khz s GLU 356 CO 0.21 -2.44 1.04 0.35 0.02 0.00 0.00 175.26 174.44 3khz h PHE 357 N 8.75 -0.65 -0.21 1.61 3.57 -1.98 -2.97 116.94 125.06 3khz h PHE 357 Ca 0.32 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.72 3khz h PHE 357 Cb 0.93 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 3khz h PHE 357 CO 1.35 -0.40 -0.23 1.05 -2.23 0.00 0.00 178.31 177.85 3khz h GLU 358 N -0.86 0.39 -0.14 1.11 9.09 -1.99 -1.59 114.58 120.59 3khz h GLU 358 Ca -0.07 -0.13 0.04 0.00 0.05 0.00 0.00 59.36 59.25 3khz h GLU 358 Cb 0.53 -0.03 -0.05 0.00 -1.65 0.00 0.00 28.75 27.56 3khz h GLU 358 CO 0.12 0.60 -0.14 -0.22 0.05 0.00 0.00 179.01 179.41 3khz h LYS 359 N 0.35 -0.17 -0.82 1.06 3.64 -1.99 -0.10 116.57 118.55 3khz h LYS 359 Ca 0.06 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3khz h LYS 359 Cb 0.60 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.41 3khz h LYS 359 CO 0.04 -0.11 0.54 0.00 -2.27 0.00 0.00 179.45 177.65 3khz h ALA 360 N 0.90 1.05 0.19 5.00 0.00 -1.27 -2.17 119.26 122.97 3khz h ALA 360 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3khz h ALA 360 Cb 0.31 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3khz h ALA 360 CO -0.24 0.42 -0.09 1.98 0.00 0.00 0.00 179.25 181.32 3khz h MET 361 N 1.08 -0.25 -0.41 0.00 4.05 -0.63 -2.17 114.93 116.60 3khz h MET 361 Ca 0.31 0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.83 3khz h MET 361 Cb -0.09 0.06 -0.08 0.00 -0.80 0.00 0.00 31.60 30.69 3khz h MET 361 CO -0.08 -0.16 -0.12 -0.44 0.23 0.00 0.00 176.91 176.35 3khz h ASP 362 N -0.27 -0.43 0.18 1.39 3.45 -0.83 1.40 116.42 121.32 3khz h ASP 362 Ca -0.03 0.13 0.01 0.00 0.43 0.00 0.00 57.03 57.57 3khz h ASP 362 Cb 0.20 0.27 -0.04 0.00 -0.56 0.00 0.00 39.33 39.20 3khz h ASP 362 CO 0.04 -0.15 -0.49 -0.09 -1.57 0.00 0.00 179.24 176.98 3khz h ARG 363 N -0.02 -0.73 -0.32 3.56 2.43 -1.20 -1.79 114.38 116.31 3khz h ARG 363 Ca 0.20 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.45 3khz h ARG 363 Cb 0.32 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 3khz h ARG 363 CO -0.44 -0.49 0.14 0.35 -1.51 0.00 0.00 179.97 178.03 3khz h PHE 364 N -0.76 0.26 -1.12 2.20 3.57 -0.81 -1.11 116.94 119.16 3khz h PHE 364 Ca -0.00 0.01 0.34 0.00 3.53 0.00 0.00 57.97 61.85 3khz h PHE 364 Cb 0.75 -0.07 -0.12 0.00 2.79 0.00 0.00 35.95 39.30 3khz h PHE 364 CO -0.39 0.13 0.70 0.00 -2.23 0.00 0.00 178.31 176.52 3khz h ALA 365 N 1.18 2.30 0.01 2.41 0.00 0.22 -1.19 119.26 124.19 3khz h ALA 365 Ca 0.14 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 3khz h ALA 365 Cb 0.07 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3khz h ALA 365 CO -0.11 -0.84 -0.41 -0.91 0.00 0.00 0.00 179.25 176.98 3khz h ASN 366 N 0.28 0.02 -1.12 0.00 2.35 -0.66 -3.27 115.58 113.18 3khz h ASN 366 Ca 0.71 -0.86 0.36 0.00 -0.55 0.00 0.00 56.30 55.96 3khz h ASN 366 Cb 1.89 -0.01 -0.14 0.00 0.05 0.00 0.00 38.32 40.12 3khz h ASN 366 CO -0.43 1.16 0.68 -0.08 -1.65 0.00 0.00 177.43 177.11 3khz h GLU 367 N -0.97 0.22 -0.09 0.81 4.81 -0.70 0.10 114.58 118.76 3khz h GLU 367 Ca -0.11 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 58.97 3khz h GLU 367 Cb 1.12 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 3khz h GLU 367 CO -0.05 0.14 -0.55 0.82 -0.73 0.00 0.00 179.01 178.64 3khz h ILE 368 N 0.22 1.36 -0.95 2.32 5.03 -1.34 -3.32 117.51 120.83 3khz h ILE 368 Ca 0.75 -1.85 0.12 0.00 -0.12 0.00 0.00 64.86 63.77 3khz h ILE 368 Cb 2.01 1.90 -0.14 0.00 -3.03 0.00 0.00 36.82 37.56 3khz h ILE 368 CO -0.51 0.55 -0.46 0.00 -0.68 0.00 0.00 178.15 177.05 3khz n GLN 369 N -3.92 -0.31 0.27 2.37 1.13 0.36 -0.17 117.38 117.11 3khz n GLN 369 Ca -0.02 1.46 0.17 0.00 -1.94 0.00 0.00 57.00 56.66 3khz n GLN 369 Cb 0.58 -2.15 0.80 0.00 0.11 0.00 0.00 30.24 29.57 3khz n GLN 369 CO 0.00 0.00 0.00 -0.56 -1.44 0.00 0.00 177.06 175.06 3khz h GLN 370 N 0.00 0.00 -0.41 -1.09 3.07 -1.73 0.25 115.11 115.20 3khz h GLN 370 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.99 3khz h GLN 370 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.05 3khz h GLN 370 CO -0.93 0.00 0.00 0.66 0.09 0.00 0.00 178.83 178.65 3khz n TYR 371 N -3.11 0.54 -3.32 0.06 4.02 0.76 -4.94 117.16 111.18 3khz n TYR 371 Ca 0.00 -0.27 -0.17 0.00 -0.01 0.00 0.00 57.90 57.46 3khz n TYR 371 Cb 0.44 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.84 3khz n TYR 371 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3khz n GLY 372 N 1.32 -0.29 3.06 2.72 0.00 0.08 -4.86 105.19 107.21 3khz n GLY 372 Ca 0.18 0.06 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 3khz n GLY 372 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3khz s PHE 373 N -3.31 0.97 0.24 1.61 0.08 -1.25 -0.04 117.98 116.29 3khz s PHE 373 Ca 0.13 -0.20 0.08 0.00 0.12 0.00 0.00 56.93 57.07 3khz s PHE 373 Cb -0.06 -0.62 -0.05 0.00 -0.57 0.00 0.00 43.02 41.72 3khz s PHE 373 CO 0.65 -0.01 -0.14 -1.21 -0.10 0.00 0.00 175.22 174.40 3khz s GLU 374 N -0.32 1.46 -0.20 0.44 0.41 -0.10 -3.99 118.70 116.40 3khz s GLU 374 Ca 0.04 -1.68 -0.08 0.00 -0.41 0.00 0.00 54.97 52.84 3khz s GLU 374 Cb -0.04 -1.28 -0.04 0.00 -1.78 0.00 0.00 34.13 30.99 3khz s GLU 374 CO -0.00 0.18 0.08 0.08 -0.49 0.00 0.00 175.26 175.11 3khz s VAL 375 N -2.88 4.85 -0.28 2.63 1.01 -1.26 -1.31 120.40 123.16 3khz s VAL 375 Ca 0.26 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 3khz s VAL 375 Cb -0.01 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 33.20 3khz s VAL 375 CO 0.10 0.43 0.01 -0.54 0.00 0.00 0.00 175.10 175.09 3khz s LYS 376 N 0.63 2.77 0.11 2.72 1.02 -0.22 -4.98 119.74 121.79 3khz s LYS 376 Ca 0.04 -1.04 -0.30 0.00 0.02 0.00 0.00 55.97 54.69 3khz s LYS 376 Cb -0.13 -3.18 -0.06 0.00 -0.52 0.00 0.00 37.83 33.93 3khz s LYS 376 CO 0.01 -0.50 1.18 -0.51 -0.92 0.00 0.00 175.35 174.61 3khz s LEU 377 N 1.36 4.41 0.00 3.17 1.02 -1.26 -1.08 118.68 126.29 3khz s LEU 377 Ca -0.01 2.07 0.00 0.00 0.02 0.00 0.00 54.13 56.21 3khz s LEU 377 Cb -0.18 -3.59 0.00 0.00 0.02 0.00 0.00 46.19 42.44 3khz s LEU 377 CO -0.01 -0.40 0.00 0.61 0.02 0.00 0.00 176.35 176.57 3khz n GLY 378 N 2.77 1.47 3.78 -3.19 0.00 0.88 -4.93 105.19 105.97 3khz n GLY 378 Ca 0.07 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 3khz n GLY 378 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khz s LYS 379 N 2.57 4.33 -0.26 1.61 3.01 -1.26 -4.87 119.74 124.87 3khz s LYS 379 Ca 0.00 0.85 -0.12 0.00 -1.01 0.00 0.00 55.97 55.69 3khz s LYS 379 Cb 0.00 -3.29 -0.05 0.00 -1.01 0.00 0.00 37.83 33.49 3khz s LYS 379 CO 0.00 0.51 0.22 0.08 0.51 0.00 0.00 175.35 176.67 3khz s VAL 380 N -0.73 5.30 -0.53 3.17 1.01 -1.26 -3.33 120.40 124.03 3khz s VAL 380 Ca 0.32 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.58 3khz s VAL 380 Cb -0.20 -3.55 0.14 0.00 0.00 0.00 0.00 36.38 32.76 3khz s VAL 380 CO 0.20 0.27 0.29 -1.58 0.00 0.00 0.00 175.10 174.28 3khz s GLN 381 N 1.57 2.08 0.80 2.72 0.74 0.02 -5.02 119.66 122.57 3khz s GLN 381 Ca 0.09 -2.59 -0.13 0.00 0.05 0.00 0.00 55.36 52.78 3khz s GLN 381 Cb -0.15 -3.39 0.08 0.00 1.10 0.00 0.00 33.01 30.64 3khz s GLN 381 CO 0.09 -1.12 1.17 -2.14 -0.55 0.00 0.00 175.29 172.74 3khz s PRO 382 N -0.22 1.77 0.53 1.67 0.02 -1.26 -0.95 135.00 136.55 3khz s PRO 382 Ca 0.17 1.59 -0.22 0.00 0.02 0.00 0.00 61.00 62.56 3khz s PRO 382 Cb -0.25 -1.81 -0.06 0.00 0.02 0.00 0.00 34.50 32.41 3khz s PRO 382 CO -0.01 -2.08 1.27 -2.30 -0.33 0.00 0.00 177.00 173.55 3khz n PRO 383 N -3.37 1.60 -3.67 5.54 -0.02 -1.26 -4.60 135.00 129.22 3khz n PRO 383 Ca 0.12 0.59 -0.05 0.00 -2.02 0.00 0.00 63.50 62.14 3khz n PRO 383 Cb 0.51 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 3khz n PRO 383 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3khz s HIS 384 N -1.30 -0.21 -0.17 6.00 -3.43 -0.84 -4.88 115.29 110.46 3khz s HIS 384 Ca 0.70 -0.04 -0.08 0.00 -0.80 0.00 0.00 55.06 54.84 3khz s HIS 384 Cb -0.44 0.60 -0.04 0.00 -1.43 0.00 0.00 32.58 31.27 3khz s HIS 384 CO 0.51 -0.73 0.09 -0.47 -2.00 0.00 0.00 174.74 172.13 3khz s TYR 385 N -3.23 3.35 -0.29 0.38 5.04 -1.26 0.20 117.35 121.54 3khz s TYR 385 Ca 0.10 0.24 -0.00 0.00 -2.44 0.00 0.00 57.07 54.96 3khz s TYR 385 Cb -0.01 -2.05 0.05 0.00 0.35 0.00 0.00 41.96 40.30 3khz s TYR 385 CO -0.02 0.33 -0.04 0.14 -1.34 0.00 0.00 175.55 174.62 3khz s VAL 386 N -0.01 2.72 0.24 3.14 -7.23 -1.26 -4.93 120.40 113.07 3khz s VAL 386 Ca 0.07 -1.45 -0.05 0.00 -1.81 0.00 0.00 61.98 58.74 3khz s VAL 386 Cb -0.12 -2.57 0.22 0.00 0.56 0.00 0.00 36.38 34.48 3khz s VAL 386 CO 0.00 -0.07 1.70 -2.24 -0.31 0.00 0.00 175.10 174.18 3khz h ASP 387 N 7.92 0.10 1.36 4.85 2.03 -1.96 -1.21 116.42 129.51 3khz h ASP 387 Ca -0.21 0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.22 3khz h ASP 387 Cb 1.06 0.16 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 3khz h ASP 387 CO 0.51 0.01 0.00 0.11 -1.03 0.00 0.00 179.24 178.84 3khz h LYS 388 N 0.32 0.00 0.00 4.15 1.57 -1.99 -2.46 116.57 118.16 3khz h LYS 388 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 3khz h LYS 388 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3khz h LYS 388 CO -0.47 0.00 -0.36 0.09 -0.57 0.00 0.00 179.45 178.14 3khz n ASN 389 N -2.54 0.43 -4.68 0.86 5.03 -0.48 -4.83 115.26 109.05 3khz n ASN 389 Ca 0.04 0.08 -0.42 0.00 0.87 0.00 0.00 54.58 55.15 3khz n ASN 389 Cb 0.39 -0.04 -0.03 0.00 -1.02 0.00 0.00 39.78 39.08 3khz n ASN 389 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3khz s ASP 390 N -3.36 6.87 0.49 6.41 2.15 -0.93 -4.92 116.67 123.38 3khz s ASP 390 Ca 0.11 1.99 0.18 0.00 0.43 0.00 0.00 52.55 55.26 3khz s ASP 390 Cb 0.17 -2.55 1.22 0.00 -0.30 0.00 0.00 42.92 41.45 3khz s ASP 390 CO 0.65 -0.75 2.05 -0.65 -0.17 0.00 0.00 175.17 176.30 3khz h PRO 391 N 8.16 0.15 0.01 4.34 0.11 -1.91 -0.80 132.00 142.06 3khz h PRO 391 Ca -0.35 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.60 3khz h PRO 391 Cb 1.16 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.25 3khz h PRO 391 CO 0.92 0.10 -0.62 0.35 -0.21 0.00 0.00 178.00 178.54 3khz h PHE 392 N 0.15 0.61 -0.72 0.65 3.57 -1.91 -2.44 116.94 116.85 3khz h PHE 392 Ca 0.17 -0.34 0.11 0.00 3.53 0.00 0.00 57.97 61.44 3khz h PHE 392 Cb 0.47 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 3khz h PHE 392 CO -0.00 1.16 0.48 0.28 -2.23 0.00 0.00 178.31 178.00 3khz h VAL 393 N -0.12 0.89 -0.31 1.41 2.07 -1.63 -0.86 116.25 117.70 3khz h VAL 393 Ca -0.08 -0.19 -0.15 0.00 0.82 0.00 0.00 66.70 67.10 3khz h VAL 393 Cb 1.34 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3khz h VAL 393 CO 0.12 0.10 -0.38 1.56 0.02 0.00 0.00 177.57 178.99 3khz h GLN 394 N 0.55 0.81 0.00 1.57 4.20 -1.11 -1.02 115.11 120.11 3khz h GLN 394 Ca 0.34 -0.46 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 3khz h GLN 394 Cb 0.57 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 3khz h GLN 394 CO -0.12 1.09 -0.08 0.87 -0.67 0.00 0.00 178.83 179.93 3khz h LYS 395 N 0.59 0.00 0.04 1.46 1.79 -0.86 0.54 116.57 120.13 3khz h LYS 395 Ca 0.04 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.30 3khz h LYS 395 Cb 0.97 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.64 3khz h LYS 395 CO 0.09 0.08 -0.86 -0.07 -1.08 0.00 0.00 179.45 177.61 3khz h LEU 396 N 0.00 0.69 -0.46 2.94 3.38 -0.57 0.41 115.31 121.70 3khz h LEU 396 Ca -0.00 -0.79 -0.03 0.00 0.09 0.00 0.00 57.88 57.15 3khz h LEU 396 Cb 0.34 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3khz h LEU 396 CO 0.01 1.40 0.18 0.58 0.09 0.00 0.00 178.44 180.70 3khz h VAL 397 N 0.06 1.20 0.17 1.22 2.07 -0.52 0.90 116.25 121.35 3khz h VAL 397 Ca -0.12 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3khz h VAL 397 Cb 1.56 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 3khz h VAL 397 CO 0.17 0.23 -0.09 0.74 0.02 0.00 0.00 177.57 178.65 3khz h THR 398 N 0.60 0.82 -0.94 2.57 2.02 -0.88 0.92 112.91 118.02 3khz h THR 398 Ca 0.15 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.41 3khz h THR 398 Cb 0.19 0.82 -0.07 0.00 -1.74 0.00 0.00 68.15 67.36 3khz h THR 398 CO -0.01 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.48 3khz h ALA 399 N 0.60 1.52 0.71 6.16 0.00 -0.06 0.30 119.26 128.50 3khz h ALA 399 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3khz h ALA 399 Cb 0.18 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.73 3khz h ALA 399 CO 0.04 0.31 -0.34 -0.92 0.00 0.00 0.00 179.25 178.33 3khz h TYR 400 N 1.02 -0.89 -0.83 0.00 3.20 -0.45 -2.65 116.97 116.37 3khz h TYR 400 Ca 0.42 -0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.46 3khz h TYR 400 Cb 0.30 0.29 -0.11 0.00 1.54 0.00 0.00 36.73 38.74 3khz h TYR 400 CO -0.00 -0.54 0.32 0.00 -1.64 0.00 0.00 178.16 176.30 3khz h ARG 401 N -1.01 0.38 -0.00 1.82 3.08 -0.15 0.58 114.38 119.08 3khz h ARG 401 Ca -0.10 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3khz h ARG 401 Cb 0.75 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 3khz h ARG 401 CO 0.16 0.25 0.01 -0.91 -1.07 0.00 0.00 179.97 178.40 3khz h ASN 402 N 0.39 0.00 -3.34 7.04 2.35 -0.78 -3.38 115.58 117.86 3khz h ASN 402 Ca 0.49 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.67 3khz h ASN 402 Cb 0.86 0.00 -0.38 0.00 0.05 0.00 0.00 38.32 38.86 3khz h ASN 402 CO -0.49 0.00 -0.80 -1.10 -1.65 0.00 0.00 177.43 173.39 3khz s GLN 403 N -4.33 1.59 0.00 0.81 -0.21 0.20 -4.90 119.66 112.83 3khz s GLN 403 Ca -0.05 -0.58 0.00 0.00 0.02 0.00 0.00 55.36 54.75 3khz s GLN 403 Cb 0.14 -2.09 0.00 0.00 1.00 0.00 0.00 33.01 32.06 3khz s GLN 403 CO 0.46 -0.42 0.00 2.41 -2.12 0.00 0.00 175.29 175.62 3khz n THR 404 N 4.83 0.00 0.00 -0.19 -1.04 -1.26 -4.75 114.28 111.88 3khz n THR 404 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3khz n THR 404 Cb 0.48 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 3khz n THR 404 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3khz n HIS 440 N 0.60 0.00 -1.28 -1.42 8.25 -1.26 -5.00 115.22 115.11 3khz n HIS 440 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 3khz n HIS 440 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 3khz n HIS 440 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3khz n GLN 441 N 0.00 0.05 -4.20 -0.41 10.64 -1.26 -5.09 117.38 117.12 3khz n GLN 441 Ca 0.00 -0.12 -0.23 0.00 -1.83 0.00 0.00 57.00 54.82 3khz n GLN 441 Cb 0.00 -0.07 -0.06 0.00 -0.86 0.00 0.00 30.24 29.25 3khz n GLN 441 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 3khz s LYS 442 N -3.04 2.61 -1.70 2.61 -2.85 -1.26 -4.58 119.74 111.53 3khz s LYS 442 Ca 0.04 -1.19 -0.12 0.00 -1.00 0.00 0.00 55.97 53.70 3khz s LYS 442 Cb -0.00 -2.39 0.12 0.00 -2.06 0.00 0.00 37.83 33.50 3khz s LYS 442 CO 0.03 0.40 0.35 0.09 0.10 0.00 0.00 175.35 176.32 3khz n ASN 443 N -0.87 -0.67 -4.71 0.03 4.13 -1.26 -4.87 115.26 107.04 3khz n ASN 443 Ca -0.08 -1.23 -0.40 0.00 1.68 0.00 0.00 54.58 54.56 3khz n ASN 443 Cb 0.58 -1.79 0.02 0.00 -1.54 0.00 0.00 39.78 37.05 3khz n ASN 443 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3khz n GLU 444 N -4.33 1.83 -3.76 3.52 2.13 -1.26 -4.90 120.64 113.86 3khz n GLU 444 Ca -0.10 0.66 -0.09 0.00 0.66 0.00 0.00 57.16 58.28 3khz n GLU 444 Cb 0.57 -2.44 -0.03 0.00 0.27 0.00 0.00 31.44 29.81 3khz n GLU 444 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 3khz s TYR 445 N -1.25 -0.15 0.01 4.31 -0.85 -1.26 -1.85 117.35 116.33 3khz s TYR 445 Ca 0.65 -0.22 0.04 0.00 -0.52 0.00 0.00 57.07 57.02 3khz s TYR 445 Cb -0.47 0.48 -0.01 0.00 0.38 0.00 0.00 41.96 42.34 3khz s TYR 445 CO 0.55 -1.01 -0.12 -1.50 -1.52 0.00 0.00 175.55 171.95 3khz s ILE 446 N -3.88 0.95 0.31 -3.49 2.07 -0.58 -4.62 121.20 111.96 3khz s ILE 446 Ca 0.10 -0.73 -0.28 0.00 -1.41 0.00 0.00 60.65 58.33 3khz s ILE 446 Cb -0.02 -0.83 -0.09 0.00 0.13 0.00 0.00 42.46 41.64 3khz s ILE 446 CO -0.00 0.10 1.07 -0.89 -1.91 0.00 0.00 174.94 173.32 3khz s THR 447 N -0.58 3.58 0.17 4.00 2.01 -1.26 -0.88 115.64 122.69 3khz s THR 447 Ca 0.02 1.49 -0.16 0.00 0.31 0.00 0.00 61.69 63.35 3khz s THR 447 Cb -0.06 -3.90 0.10 0.00 0.01 0.00 0.00 72.50 68.65 3khz s THR 447 CO 0.00 0.27 1.68 0.11 -0.69 0.00 0.00 174.62 175.99 3khz h LYS 448 N 3.47 0.05 -0.70 4.92 1.57 -0.65 -1.59 116.57 123.65 3khz h LYS 448 Ca -0.47 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 3khz h LYS 448 Cb 1.21 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 3khz h LYS 448 CO 0.66 0.04 0.37 0.87 -0.57 0.00 0.00 179.45 180.81 3khz h LYS 449 N 0.06 0.99 -0.66 3.15 1.57 -1.93 -0.82 116.57 118.93 3khz h LYS 449 Ca 0.21 -0.13 0.12 0.00 -1.87 0.00 0.00 60.65 58.99 3khz h LYS 449 Cb 0.32 -0.19 -0.09 0.00 0.08 0.00 0.00 32.23 32.35 3khz h LYS 449 CO -0.40 0.75 0.19 1.96 -0.57 0.00 0.00 179.45 181.39 3khz h GLN 450 N 0.97 0.32 0.10 3.15 4.20 -1.82 -1.20 115.11 120.83 3khz h GLN 450 Ca 0.24 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 3khz h GLN 450 Cb 0.07 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.77 3khz h GLN 450 CO -0.04 0.21 -0.05 1.25 -0.67 0.00 0.00 178.83 179.54 3khz h LEU 451 N 0.33 -0.12 -0.40 1.46 5.85 -0.21 -1.56 115.31 120.67 3khz h LEU 451 Ca 0.35 -0.15 -0.16 0.00 0.84 0.00 0.00 57.88 58.76 3khz h LEU 451 Cb 0.52 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3khz h LEU 451 CO -0.40 0.08 -0.38 -0.26 -0.34 0.00 0.00 178.44 177.14 3khz h PHE 452 N -0.31 1.14 -0.45 1.25 0.04 -1.12 -2.35 116.94 115.13 3khz h PHE 452 Ca -0.01 -0.34 0.06 0.00 2.80 0.00 0.00 57.97 60.48 3khz h PHE 452 Cb 0.26 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 38.11 3khz h PHE 452 CO -0.02 1.17 0.16 -0.91 -0.60 0.00 0.00 178.31 178.12 3khz h ASN 453 N 0.78 0.16 -0.65 2.17 4.21 -1.26 0.69 115.58 121.68 3khz h ASN 453 Ca 0.06 0.05 0.07 0.00 1.21 0.00 0.00 56.30 57.70 3khz h ASN 453 Cb 0.97 0.04 -0.04 0.00 -1.12 0.00 0.00 38.32 38.17 3khz h ASN 453 CO 0.09 0.13 0.43 0.00 -1.29 0.00 0.00 177.43 176.79 3khz h ALA 454 N 1.30 1.81 -0.10 -0.83 0.00 -0.94 0.32 119.26 120.82 3khz h ALA 454 Ca 0.21 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 3khz h ALA 454 Cb 0.21 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.85 3khz h ALA 454 CO -0.22 0.08 -0.48 1.15 0.00 0.00 0.00 179.25 179.79 3khz h THR 455 N 0.62 1.38 -0.56 0.00 2.02 -0.84 -1.63 112.91 113.90 3khz h THR 455 Ca 0.28 -1.82 0.09 0.00 0.77 0.00 0.00 66.41 65.73 3khz h THR 455 Cb 0.32 2.22 -0.07 0.00 -1.74 0.00 0.00 68.15 68.88 3khz h THR 455 CO -0.09 0.54 0.18 0.28 0.37 0.00 0.00 175.52 176.80 3khz h SER 456 N 0.08 0.14 -0.14 4.18 0.02 -0.13 0.66 113.55 118.36 3khz h SER 456 Ca -0.03 0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 3khz h SER 456 Cb 1.12 0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 3khz h SER 456 CO 0.10 0.10 -0.18 0.40 -1.14 0.00 0.00 176.83 176.11 3khz h ILE 457 N 0.34 1.36 -0.76 3.27 2.04 -0.98 0.39 117.51 123.17 3khz h ILE 457 Ca 0.28 -1.38 0.07 0.00 1.00 0.00 0.00 64.86 64.83 3khz h ILE 457 Cb 0.35 1.92 -0.06 0.00 -0.74 0.00 0.00 36.82 38.29 3khz h ILE 457 CO -0.31 0.40 0.44 1.88 0.00 0.00 0.00 178.15 180.57 3khz h TYR 458 N -0.01 0.82 0.55 1.37 0.05 -1.18 -1.11 116.97 117.45 3khz h TYR 458 Ca 0.02 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 3khz h TYR 458 Cb 0.73 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 38.21 3khz h TYR 458 CO 0.09 0.38 -0.31 1.25 -1.05 0.00 0.00 178.16 178.53 3khz h LEU 459 N 0.80 -0.75 0.22 3.88 5.85 0.82 0.13 115.31 126.25 3khz h LEU 459 Ca 0.35 0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.11 3khz h LEU 459 Cb 0.23 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3khz h LEU 459 CO -0.20 -0.49 -0.28 -0.08 -0.34 0.00 0.00 178.44 177.05 3khz h GLU 460 N -0.80 -0.54 -0.21 1.25 4.81 -0.02 -0.28 114.58 118.80 3khz h GLU 460 Ca -0.07 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3khz h GLU 460 Cb 0.63 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 3khz h GLU 460 CO 0.09 -0.36 0.01 0.00 -0.73 0.00 0.00 179.01 178.03 3khz h ALA 461 N 0.08 0.19 -0.22 2.92 0.00 -1.05 0.16 119.26 121.34 3khz h ALA 461 Ca 0.01 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3khz h ALA 461 Cb 0.54 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3khz h ALA 461 CO -0.10 -0.42 0.14 0.82 0.00 0.00 0.00 179.25 179.69 3khz h ILE 462 N 0.09 1.04 0.05 0.00 2.04 -0.62 -2.29 117.51 117.82 3khz h ILE 462 Ca 0.10 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.86 3khz h ILE 462 Cb 0.11 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3khz h ILE 462 CO -0.15 0.05 -0.26 0.22 0.00 0.00 0.00 178.15 178.01 3khz h TYR 463 N 0.28 -0.76 -1.07 1.37 3.20 -0.33 0.13 116.97 119.79 3khz h TYR 463 Ca 0.08 0.02 0.30 0.00 3.14 0.00 0.00 58.73 62.27 3khz h TYR 463 Cb -0.02 0.33 -0.06 0.00 1.54 0.00 0.00 36.73 38.51 3khz h TYR 463 CO -0.07 -0.29 0.74 0.66 -1.64 0.00 0.00 178.16 177.56 3khz h SER 464 N -0.36 0.19 0.24 -2.11 4.64 -0.86 -0.64 113.55 114.64 3khz h SER 464 Ca -0.00 0.04 -0.33 0.00 -0.47 0.00 0.00 61.79 61.02 3khz h SER 464 Cb 0.37 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.41 3khz h SER 464 CO -0.15 0.04 -2.04 -0.11 -0.87 0.00 0.00 176.83 173.70 3khz n LEU 465 N -4.38 0.90 -0.52 5.97 7.94 -0.80 -4.40 117.00 121.70 3khz n LEU 465 Ca 0.24 0.21 0.06 0.00 -1.11 0.00 0.00 56.01 55.40 3khz n LEU 465 Cb 1.04 0.08 0.09 0.00 0.53 0.00 0.00 43.42 45.15 3khz n LEU 465 CO 0.34 0.51 0.50 0.00 -1.11 0.00 0.00 177.39 177.64